UCSF

ZINC06780623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 0.44 5.4 -13.18 1 6 0 72 325.368 5
Lo Low (pH 4.5-6) 0.44 5.8 -42.12 2 6 1 73 326.376 5

Activity (Go SEA)

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