UCSF

ZINC12503779

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 19 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) -2.06 -3.31 -20.92 5 9 0 139 267.245 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.19e+01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID US4594320; US4594321 IBM Patent Data

Activity (Go SEA)

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