UCSF

ZINC48654955

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 14 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) -0.47 -1.08 -42.7 3 4 1 49 203.306 7
Lo Low (pH 4.5-6) -0.47 1.19 -106.84 4 4 2 51 204.314 7

Activity (Go SEA)

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