UCSF

ZINC34821721

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 19 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) 3.21 9.05 -79.29 3 3 2 30 266.429 9
Hi High (pH 8-9.5) 3.21 6.59 -40.45 2 3 1 29 265.421 9

Activity (Go SEA)

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