UCSF

ZINC34821679

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 21 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) 3.96 10.39 -77.1 3 3 2 30 294.483 11
Hi High (pH 8-9.5) 3.96 8.14 -38.58 2 3 1 29 293.475 11

Activity (Go SEA)

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