UCSF

ZINC41751698

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 12 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) -1.51 2.8 -34.53 2 4 0 66 175.228 5
Hi High (pH 8-9.5) -1.51 1.89 -46.17 1 4 -1 61 174.22 5

Activity (Go SEA)

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