UCSF

ZINC34540688

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.11 6.94 -3.02 0 1 0 3 179.238 1
Lo Low (pH 4.5-6) 3.11 7.58 -32.72 1 1 1 4 180.246 1

Activity (Go SEA)

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