UCSF

ZINC42035157

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 19 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) 3.22 9.1 -8.15 0 3 0 24 260.381 5
Lo Low (pH 4.5-6) 3.22 9.87 -23.07 1 3 0 25 261.389 5

Activity (Go SEA)

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