UCSF

ZINC00039033

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) -1.27 -4.35 -12.79 3 8 0 114 252.23 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.00e+01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0496617B1; EP0682519A1; EP0832970A1; EP0857788A3; EP0986396A1; EP1052265A1; US3932656; US3988317; US3992531; US4016262; US5494912; US5527803; US5538978; US5631146; US5646128; US5773424; US5864033; US5872015; US5914233; US6010851; US6015697; US6121296; W IBM Patent Data

Activity (Go SEA)

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