UCSF

ZINC00898188

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 24 Yes

Popular Name: Ajmaline Ajmaline

Find On: PubMed — Wikipedia — Google

CAS Number: 4360-12-7

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) 2.56 -9.5 -6.95 2 4 0 46 326.44 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.09e+00 g/l DrugBank-approved
UniProt Database Links AAE_RAUSE; AAE_RAUVE; PNAE_RAUSE; SG1_RAUSE ChEBI
PUBCHEM_PATENT_ID EP0025864A1; EP0029115A1; EP0029116A1; EP0029117A1; EP0032889A1; EP0035360A2; EP0077529A2; EP0115789A2; EP0125406A2; EP0182271A2; EP0182635A1; EP0251905A2; EP0251905B1; EP0265116A2; EP0265116B1; EP0341745A1; EP0341745B1; EP0342557A1; EP0342557B1; EP044302 IBM Patent Data
Patent Database Links EP1700601; US2002115655; US2007238674; WO2007117621 ChEBI
UniProt Database Links PNAE_RAUSE; SG1_RAUSE ChEBI

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