UCSF

ZINC06645319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 24 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) 3.29 7.05 -23.08 2 6 0 80 340.408 6
Hi High (pH 8-9.5) 3.29 6.89 -49.67 1 6 -1 78 339.4 6

Activity (Go SEA)

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