UCSF

ZINC62962498

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 No

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

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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) 0.91 1.21 -60.92 3 4 1 65 287.449 2 ↓
Mid Mid (pH 6-8) 0.91 0.52 -9.66 2 4 0 63 286.441 2 ↓
Mid Mid (pH 6-8) 0.91 3.42 -46.04 3 4 1 65 287.449 2 ↓
Lo Low (pH 4.5-6) 0.91 3.2 -138.06 4 4 2 66 288.457 2 ↓

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

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