UCSF

ZINC09614842

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 24 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) 1.92 -2.12 -18.46 2 7 0 92 341.396 5
Lo Low (pH 4.5-6) 1.92 -2.47 -37.96 3 7 1 94 342.404 5

Activity (Go SEA)

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