UCSF

ZINC53492448

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 20 Yes

Popular Name: (2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl (2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8…

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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) 2.65 7.11 -28.62 2 3 1 26 281.464 5 ↓
Mid Mid (pH 6-8) 2.65 8.51 -112.29 3 3 2 30 282.472 5 ↓
Mid Mid (pH 6-8) 2.65 6.77 -34.88 2 3 1 29 281.464 5 ↓

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

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