UCSF

ZINC06715598

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 20 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) 1.42 6.79 -10.38 0 4 0 42 270.332 5
Lo Low (pH 4.5-6) 1.42 7.07 -37.43 1 4 1 44 271.34 5

Activity (Go SEA)

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