UCSF

ZINC39263408

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 14 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) 1.57 6.25 -6.87 0 3 0 39 193.246 5
Lo Low (pH 4.5-6) 1.57 6.71 -33.83 1 3 1 40 194.254 5

Activity (Go SEA)

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