UCSF

ZINC42764274

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 3.20 5.48 -10.47 0 2 0 27 234.265 4
Lo Low (pH 4.5-6) 3.20 7.23 -44.16 1 2 1 28 235.273 4

Activity (Go SEA)

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