UCSF

ZINC35639954

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 35 Yes

Popular Name: (3R)-4-(4-methylbenzoyl)-8-(3-methylbutanoyl)-N-(4-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3- (3R)-4-(4-methylbenzoyl)-8-(3-me…

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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) 1.85 7.78 -17.55 1 8 0 92 478.593 6 ↓
Lo Low (pH 4.5-6) 1.85 8.24 -58.56 2 8 1 93 479.601 6 ↓

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

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