UCSF

ZINC34682214

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 26 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) 2.50 7.33 -41.56 3 6 1 70 375.518 6
Lo Low (pH 4.5-6) 2.50 7.68 -96.11 4 6 2 71 376.526 6

Activity (Go SEA)

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