UCSF

ZINC44723079

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 18 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) 1.62 4.79 -35.63 3 4 1 46 252.382 5
Lo Low (pH 4.5-6) 1.62 5.96 -110.02 4 4 2 50 253.39 5
Lo Low (pH 4.5-6) 1.62 3.67 -42.09 3 4 1 49 252.382 5

Activity (Go SEA)

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