UCSF

ZINC44677925

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 3.26 11.18 -12.32 1 3 0 34 293.395 3
Mid Mid (pH 6-8) 3.99 11.58 -47.7 0 3 -1 31 292.387 3

Activity (Go SEA)

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