UCSF

ZINC67490534

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 Yes

Popular Name: (3S)-1-(cyclohexylmethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methyl-amino]methyl]-3-hydroxy-piperidin- (3S)-1-(cyclohexylmethyl)-3-[[(1…

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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) 1.75 7.06 -9.61 1 6 0 62 362.518 7 ↓
Mid Mid (pH 6-8) 1.75 7.43 -30.6 2 6 1 63 363.526 7 ↓
Lo Low (pH 4.5-6) 1.75 9.5 -32.2 2 6 1 63 363.526 7 ↓

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

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