UCSF

ZINC19791965

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 26 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) 3.78 8.07 -11.7 1 5 0 50 348.45 6
Lo Low (pH 4.5-6) 3.78 10.69 -81.87 3 5 2 53 350.466 6

Activity (Go SEA)

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