UCSF

ZINC57992249

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 33 No

Popular Name: (5S)-7-benzyl-2-[(4-benzyl-1-piperidyl)methyl]-2,4,7-triazaspiro[4.5]decane-1,3-dione (5S)-7-benzyl-2-[(4-benzyl-1-pip…

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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) 3.66 9.33 -7.39 1 6 0 56 446.595 6 ↓
Mid Mid (pH 6-8) 3.66 11.67 -36.68 2 6 1 57 447.603 6 ↓
Mid Mid (pH 6-8) 3.66 11.76 -47.18 2 6 1 57 447.603 6 ↓
Mid Mid (pH 6-8) 3.29 9.4 -40.71 1 6 0 63 446.595 6 ↓
Mid Mid (pH 6-8) 3.29 11.73 -49.85 2 6 1 65 447.603 6 ↓
Lo Low (pH 4.5-6) 3.66 14.1 -98.38 3 6 2 58 448.611 6 ↓

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

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