UCSF

ZINC19813245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 0.92 3.62 -80.73 3 6 0 102 292.364 4
Lo Low (pH 4.5-6) 0.92 3.59 -61.18 4 6 1 100 293.372 4

Activity (Go SEA)

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