UCSF

ZINC42010969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 13 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) 1.69 4.31 -35.2 2 2 1 20 183.319 2
Lo Low (pH 4.5-6) 1.69 6.22 -110.15 3 2 2 21 184.327 2

Activity (Go SEA)

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