UCSF

ZINC45228652

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 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) 0.89 -1.82 -14.34 3 6 0 96 242.227 6
Hi High (pH 8-9.5) 0.89 -0.82 -51 2 6 -1 99 241.219 6

Activity (Go SEA)

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