UCSF

ZINC62964973

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: (3S)-1-[(8S,9S)-8-(ethylamino)-1,4-dioxaspiro[4.5]decan-9-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(8S,9S)-8-(ethylamino)-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) 1.18 4.56 -30.33 2 5 1 38 298.451 4 ↓
Hi High (pH 8-9.5) 1.18 2.07 -2.98 1 5 0 37 297.443 4 ↓
Hi High (pH 8-9.5) 1.18 2.18 -34.98 2 5 1 42 298.451 4 ↓
Mid Mid (pH 6-8) 1.18 4.57 -91.01 3 5 2 43 299.459 4 ↓

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Rings

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

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