UCSF

ZINC34654227

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.62 5.12 -51.09 4 4 1 68 285.367 5
Hi High (pH 8-9.5) 3.62 6.1 -85.1 3 4 0 71 284.359 5

Activity (Go SEA)

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