UCSF

ZINC31976860

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 1.24 -0.36 -48.38 2 6 -1 107 276.315 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.59e-01 g/l DrugBank-experimental

Activity (Go SEA)

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