UCSF

ZINC67457813

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: (3S)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-isopropylphenyl)methyl]piperidin- (3S)-3-[[(1-ethylimidazol-2-yl)m…

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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) 2.12 8.12 -32.21 3 6 1 72 385.532 8 ↓
Mid Mid (pH 6-8) 2.12 7.36 -11.23 2 6 0 70 384.524 8 ↓
Lo Low (pH 4.5-6) 2.12 8.59 -43.38 3 6 1 75 385.532 8 ↓

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

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