UCSF

ZINC42820981

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 11 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) 0.41 1.77 -6.68 1 3 0 45 154.213 3
Lo Low (pH 4.5-6) 0.41 3.15 -49.96 2 3 1 50 155.221 3

Activity (Go SEA)

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