UCSF

ZINC01111675

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 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) 5.96 13.68 -20.81 0 4 0 38 403.913 5
Lo Low (pH 4.5-6) 5.96 14.1 -31.76 1 4 1 39 404.921 5

Activity (Go SEA)

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