UCSF

ZINC34821838

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 20 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) 3.72 9.82 -79.49 3 3 2 30 280.456 10
Hi High (pH 8-9.5) 3.72 7.28 -40.86 2 3 1 29 279.448 10

Activity (Go SEA)

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