UCSF

ZINC45067409

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 20 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) 3.58 7.55 -47 3 2 1 31 293.862 4
Mid Mid (pH 6-8) 3.58 9.44 -128.4 4 2 2 32 294.87 4

Activity (Go SEA)

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