UCSF

ZINC34936254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 12 No

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) 2.64 5.19 -7.37 0 2 0 30 180.59 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 68 - 69 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; EUH029: Contact with water liberates toxic gas; EUH014: Reacts violently with water Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R14: Reacts violently with water. Acros Organics
R phrase R14: Reacts violently with water.; R29: Contact with water liberates toxic gas.; R34: Causes burns. Acros Organics
S phrase S8: Keep container dry. Acros Organics
S phrase S8: Keep container dry.; S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S30: Never add water to this product.; S36/37/39: Wear suitable protective clothing, gloves and eye/fac Acros Organics

Activity (Go SEA)

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