UCSF

ZINC04523255

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 20 No

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) -4.61 -5.44 -306.81 3 12 -4 223 336.082 9
Mid Mid (pH 6-8) -4.61 -6.6 -198.84 4 12 -3 220 337.09 9
Lo Low (pH 4.5-6) -4.61 -7.75 -98.9 5 12 -2 217 338.098 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.36e+01 g/l DrugBank-experimental

Activity (Go SEA)

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