UCSF

ZINC69237772

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 Yes

Popular Name: (8S,9R)-N9-(cyclopropylmethyl)-N8,N9-diethyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8S,9R)-N9-(cyclopropylmethyl)-N…

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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) 2.27 6.54 -28.83 2 4 1 35 283.436 6 ↓
Hi High (pH 8-9.5) 2.27 5.37 -2.21 1 4 0 34 282.428 6 ↓
Hi High (pH 8-9.5) 2.27 5.63 -33.3 2 4 1 38 283.436 6 ↓
Mid Mid (pH 6-8) 2.27 7.52 -109.46 3 4 2 40 284.444 6 ↓

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Rings

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

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