UCSF

ZINC69237744

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 Yes

Popular Name: (7R,8S)-N7-(cyclopropylmethyl)-N7-ethyl-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) 0.99 4.89 -116.91 4 4 2 51 256.39 4 ↓
Hi High (pH 8-9.5) 0.99 2.98 -40.66 3 4 1 49 255.382 4 ↓
Hi High (pH 8-9.5) 0.99 2.85 -2.9 2 4 0 48 254.374 4 ↓
Mid Mid (pH 6-8) 0.99 4.65 -30.71 3 4 1 49 255.382 4 ↓

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Rings

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

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