UCSF

ZINC34478711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 11 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) -0.23 -0.1 -9.2 5 5 0 94 149.157 0
Mid Mid (pH 6-8) -0.23 0.35 -37.15 6 5 1 95 150.165 0

Activity (Go SEA)

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