UCSF

ZINC39952025

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 18 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) 0.52 1.16 -46.05 3 5 1 60 256.37 3
Hi High (pH 8-9.5) 0.52 0.84 -5.79 2 5 0 59 255.362 3

Activity (Go SEA)

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