UCSF

ZINC01664586

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 26 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) 4.12 2.43 -54.75 1 3 1 24 351.514 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.40e-02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0488959A3; EP0527540A1; US5385903; WO1999036071A1 IBM Patent Data

Activity (Go SEA)

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