UCSF

ZINC38476010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 10 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) 0.81 3.79 -47.9 0 3 -1 43 142.178 0
Mid Mid (pH 6-8) 0.81 1.89 -5.68 1 3 0 41 143.186 0

Activity (Go SEA)

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