UCSF

ZINC40861483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 4.72 9.94 -7.7 0 1 0 13 233.314 2
Lo Low (pH 4.5-6) 4.72 10.25 -24.97 1 1 1 14 234.322 2

Activity (Go SEA)

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