UCSF

ZINC14880577

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 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) 7.90 14.72 -0.8 0 0 0 0 274.492 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.97e-03 g/l DrugBank-experimental
PUBCHEM_PATENT_ID US4609736 IBM Patent Data

Activity (Go SEA)

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