UCSF

ZINC19834108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 11 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) 1.45 6.79 -48.07 1 2 1 28 155.265 5
Hi High (pH 8-9.5) 1.45 4.39 -5.11 0 2 0 27 154.257 5

Activity (Go SEA)

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