UCSF

ZINC62031056

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 19 Yes

Popular Name: (8S,9S)-N9-(3-methoxypropyl)-N8,N9-dimethyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8S,9S)-N9-(3-methoxypropyl)-N8,…

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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) 0.90 2.99 -32.53 2 5 1 44 273.397 6 ↓
Hi High (pH 8-9.5) 0.90 2.24 -37.44 2 5 1 48 273.397 6 ↓
Hi High (pH 8-9.5) 0.90 0.56 -4.29 1 5 0 43 272.389 6 ↓
Lo Low (pH 4.5-6) 0.90 4.13 -115.2 3 5 2 49 274.405 6 ↓

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Rings

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

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