In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2011 | 28 | Yes |
Popular Name: (3S)-N3-(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)piperidine-1,3-dicarboxamide (3S)-N3-(5-benzyl-6,7-dihydro-4H…
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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) | 1.97 | 7.53 | -51.7 | 4 | 7 | 1 | 93 | 400.528 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 5.27 | -17.13 | 3 | 7 | 0 | 92 | 399.52 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.