UCSF

ZINC69138231

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [(3S)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-[(4aR,8aS)-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) 1.18 1.98 -51.7 3 4 1 65 301.476 2 ↓
Hi High (pH 8-9.5) 1.18 1.12 -9.54 2 4 0 63 300.468 2 ↓
Mid Mid (pH 6-8) 1.18 3.64 -129.48 4 4 2 66 302.484 2 ↓
Mid Mid (pH 6-8) 1.18 3.1 -41.16 3 4 1 65 301.476 2 ↓

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Rings

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

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