UCSF

ZINC45147279

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 17 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) 1.70 6.49 -122.45 3 3 2 30 242.338 7
Mid Mid (pH 6-8) 1.70 4.18 -42.19 2 3 1 29 241.33 7

Activity (Go SEA)

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