In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 17 | Yes |
Popular Name: 1-[(2S)-2-[(3-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one 1-[(2S)-2-[(3-methyl-1H-pyrazol-…
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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) | 0.11 | 4.36 | -45.7 | 3 | 5 | 1 | 66 | 237.327 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.11 | 3.4 | -10.62 | 2 | 5 | 0 | 61 | 236.319 | 5 | ↓ |