UCSF

ZINC01086215

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 27 No

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) 0.20 -4.87 -20.56 5 9 0 149 369.381 6
Lo Low (pH 4.5-6) 0.20 0.62 -72.24 6 9 1 151 370.389 6

Activity (Go SEA)

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