UCSF

ZINC69434169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2011 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) 1.72 2.08 -92.89 4 5 2 71 242.367 5
Hi High (pH 8-9.5) 1.72 1.84 -34.89 3 5 1 69 241.359 5

Activity (Go SEA)

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