UCSF

ZINC45702428

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) 0.62 5.51 -49.38 2 4 1 67 199.274 8
Mid Mid (pH 6-8) 0.62 4.31 -9.05 1 4 0 62 198.266 8

Activity (Go SEA)

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