UCSF

ZINC39169738

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 15 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) -0.59 3.7 -50.29 1 6 -1 96 216.213 8
Lo Low (pH 4.5-6) -0.59 1.71 -13.9 2 6 0 93 217.221 8

Activity (Go SEA)

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