UCSF

ZINC56898766

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 44 No

Popular Name: 865-04-3; D07166; Methoserpidine (INN) 865-04-3; D07166; Methoserpidine…

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CAS Number: 865-04-3

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) 5.01 11.66 -45.51 2 11 1 119 609.696 10 ↓
Mid Mid (pH 6-8) 5.01 9.51 -13.75 1 11 0 118 608.688 10 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0565716A1; US3935313; US3960880; US4011329; US5773490 IBM Patent Data

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Rings

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

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