In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 21 | Yes |
Popular Name: (2S)-1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-(4-methyl-1-piperidyl)propan-2-ol (2S)-1-[(2R)-2-cyclopentylpyrrol…
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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) | 3.05 | 9.18 | -101.24 | 3 | 3 | 2 | 29 | 296.499 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 6.92 | -32.93 | 2 | 3 | 1 | 28 | 295.491 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 7.09 | -35.02 | 2 | 3 | 1 | 28 | 295.491 | 5 | ↓ |