UCSF

ZINC13477407

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 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) -3.88 -7.79 -198.62 4 10 -3 193 273.11 7

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.07e+01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID US4331762 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.