UCSF

ZINC41007165

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 33 No

Other Names:

MFCD00062825

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) -1.61 -3.48 -52.86 7 11 -1 205 459.431 2
Hi High (pH 8-9.5) -1.61 -2.48 -108.92 6 11 -2 208 458.423 2
Hi High (pH 8-9.5) -1.16 -1.27 -129.63 7 11 -1 209 459.431 2
Hi High (pH 8-9.5) -1.16 -2.91 -139.72 6 11 -2 208 458.423 2
Mid Mid (pH 6-8) -1.61 -2.91 -58.35 8 11 0 206 460.439 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 168 Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H361d: Suspected of damaging the unborn child Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R63: Possible risk of harm to the unborn child. Acros Organics
R phrase R63: Possible risk of harm to the unborn child.; R63: Possible risk of harm to the unborn child. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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