UCSF

ZINC12367502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.77 2.59 -4.83 2 2 0 35 305.658 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 198.5 - 204.5 Acros Organics
H phrase H410: Very toxic to aquatic life with long lasting effects Acros Organics
H phrase H410: Very toxic to aquatic life with long lasting effects; H317: May cause an allergic skin reaction; H318: Causes serious eye damage; H302: Harmful if swallowed; H373: May cause damage to organs through prolonged or repeated exposure if inhaled; H372: C Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P280: Wear eye protection/face protection; P30 Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact.; R48/25: Toxic : danger of serious damage to health by prolonged exposure if swallowed.; R50/53: Very toxic to aquatic organisms, may cause lon Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, s Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )