UCSF

ZINC40131197

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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) 3.61 8.55 -23.35 1 6 0 81 339.376 5
Hi High (pH 8-9.5) 3.68 6.87 -57.46 0 6 -1 88 338.368 5

Activity (Go SEA)

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