UCSF

ZINC40459412

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 12 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) 0.61 2.51 -40.85 3 3 1 48 173.28 3
Mid Mid (pH 6-8) 0.61 2.21 -5.8 2 3 0 46 172.272 3

Activity (Go SEA)

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