UCSF

ZINC44727240

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 1.77 2.46 -38.12 3 5 1 64 271.381 7
Hi High (pH 8-9.5) 1.77 1.17 -11.39 2 5 0 60 270.373 7

Activity (Go SEA)

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