UCSF

ZINC06777936

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 23 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) 2.89 -0.97 -14.12 1 6 0 77 336.413 6
Hi High (pH 8-9.5) 2.89 -0.5 -46.22 0 6 -1 79 335.405 6

Activity (Go SEA)

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