UCSF

ZINC67935042

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 Yes

Popular Name: 12-methyl-3-(5-phenylpentanoyl)-3,8,12-triazaspiro[5.6]dodecan-7-one 12-methyl-3-(5-phenylpentanoyl)-…

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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) 2.49 8.63 -46.79 2 5 1 54 358.506 5 ↓
Hi High (pH 8-9.5) 2.49 6.93 -11.31 1 5 0 53 357.498 5 ↓

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

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