UCSF

ZINC05839322

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 13 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) -0.13 4 -38.8 3 4 1 56 181.263 3
Lo Low (pH 4.5-6) -0.13 0.69 -97.29 4 4 2 57 182.271 3
Lo Low (pH 4.5-6) -0.13 4.3 -94.53 4 4 2 57 182.271 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.86e+00 g/l DrugBank-experimental

Activity (Go SEA)

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