UCSF

ZINC34558738

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 3.68 7.72 -4.95 0 2 0 12 231.339 2
Lo Low (pH 4.5-6) 3.68 7.83 -26.34 1 2 1 14 232.347 2

Activity (Go SEA)

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