UCSF

ZINC40154142

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 29 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) 0.42 2.12 -16.85 0 10 0 110 429.495 7
Mid Mid (pH 6-8) 0.42 4.24 -52.58 1 10 1 111 430.503 7

Activity (Go SEA)

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