UCSF

ZINC41679584

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.68 5.59 -85.8 4 4 2 50 243.395 8
Hi High (pH 8-9.5) 1.68 4.36 -40.4 3 4 1 46 242.387 8

Activity (Go SEA)

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