UCSF

ZINC34663797

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 3.78 8.58 -36.07 2 2 1 20 247.406 3
Lo Low (pH 4.5-6) 3.78 9.23 -85.96 3 2 2 21 248.414 3

Activity (Go SEA)

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