UCSF

ZINC14248611

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 21 No

Popular Name: 3-(azepan-1-ylmethyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione 3-(azepan-1-ylmethyl)-8-methyl-1…

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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) 1.10 4.8 -46.65 2 6 1 57 295.407 2 ↓
Hi High (pH 8-9.5) 0.72 2.84 -44.95 1 6 0 63 294.399 2 ↓
Mid Mid (pH 6-8) 1.10 6.81 -89.14 3 6 2 58 296.415 2 ↓

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

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