UCSF

ZINC53133527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 0.68 3.27 -45.57 2 5 1 68 231.279 5
Lo Low (pH 4.5-6) 0.68 3.74 -89.11 3 5 2 70 232.287 5

Activity (Go SEA)

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