In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 16 | No |
Popular Name: (3R,4S)-4-[(3R,5S)-3,5-dimethyl-1-piperidyl]-1,1-dioxo-thiolan-3-amine (3R,4S)-4-[(3R,5S)-3,5-dimethyl-…
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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) | 0.08 | 0.52 | -59.08 | 3 | 4 | 1 | 65 | 247.384 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.08 | 0.47 | -9.53 | 2 | 4 | 0 | 63 | 246.376 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.08 | 2.15 | -48.94 | 3 | 4 | 1 | 65 | 247.384 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.08 | 2.21 | -152.67 | 4 | 4 | 2 | 66 | 248.392 | 1 | ↓ |