UCSF

ZINC35637733

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 29 Yes

Popular Name: (3S)-4-(4-methylbenzoyl)-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-4-(4-methylbenzoyl)-N-(3-py…

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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) 2.42 6.33 -12.95 1 6 0 72 393.487 4 ↓
Lo Low (pH 4.5-6) 2.42 6.8 -51.99 2 6 1 73 394.495 4 ↓

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

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