UCSF

ZINC05859031

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 20 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) 0.03 3.68 -10.12 0 6 0 55 294.388 17

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.20e-01 g/l DrugBank-experimental

Activity (Go SEA)

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