UCSF

ZINC13536017

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 13 Yes

Popular Name: 4-(2-Methyl-imidazol-1-ylmethyl)-piperidine 4-(2-Methyl-imidazol-1-ylmethyl)…

Find On: PubMed — Wikipedia — Google

CAS Number: 915923-29-4

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) 0.29 5.44 -46.38 2 3 1 34 180.275 2 ↓
Mid Mid (pH 6-8) 0.29 5.91 -84.03 3 3 2 36 181.283 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0738269A1; EP0738269B1 IBM Patent Data

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