UCSF

ZINC64622550

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2011 30 Yes

Popular Name: Flupenthixol Flupenthixol

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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) 4.10 9.66 -49.05 2 3 1 28 437.551 6 ↓
Mid Mid (pH 6-8) 4.10 9.75 -39.29 2 3 1 28 437.551 6 ↓
Mid Mid (pH 6-8) 4.10 7.39 -8.18 1 3 0 27 436.543 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.00e-03 g/l DrugBank-approved
ALOGPS_SOLUBILITY 3.99e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0002902A1; EP0005607A1; EP0035363A1; EP0054975A1; EP0107134A1; EP0110521A2; EP0200322A1; EP0233932A1; EP0240904A2; EP0240904B1; EP0251905A2; EP0251905B1; EP0265116A2; EP0265116B1; EP0281261A2; EP0281261B1; EP0313328A1; EP0342557A1; EP0342557B1; EP035810 IBM Patent Data
Patent Database Links EP1627639; US2007270403; WO2007110878; WO2008116308 ChEBI

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

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