UCSF

ZINC69237872

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 Yes

Popular Name: (7R,8S)-N7-(cyclopropylmethyl)-N7-ethyl-N8-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7R,8S)-N7-(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) 1.90 5.81 -32.08 2 4 1 35 269.409 5 ↓
Hi High (pH 8-9.5) 1.90 4.18 -2.37 1 4 0 34 268.401 5 ↓
Lo Low (pH 4.5-6) 1.90 6.68 -110.24 3 4 2 40 270.417 5 ↓

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

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