UCSF

ZINC53683486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 28 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) -3.69 -4.4 -258.69 5 16 -3 261 440.178 6
Mid Mid (pH 6-8) -3.69 -5.55 -138.62 6 16 -2 258 441.186 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.44e+00 g/l DrugBank-experimental

Activity (Go SEA)

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