UCSF

ZINC36989900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.06 5.71 -8.05 1 3 0 38 235.29 3
Lo Low (pH 4.5-6) 2.06 6.14 -33.79 2 3 1 39 236.298 3
Lo Low (pH 4.5-6) 2.06 6.6 -81.69 3 3 2 40 237.306 3
Lo Low (pH 4.5-6) 2.06 6.17 -40.75 2 3 1 39 236.298 3

Activity (Go SEA)

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