UCSF

ZINC42913174

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 0.55 4.28 -51.68 3 4 1 51 280.367 3
Lo Low (pH 4.5-6) 0.55 5.9 -138.24 4 4 2 52 281.375 3

Activity (Go SEA)

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