In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 17 | Yes |
Popular Name: (1R,2S)-1-[(3S)-3-methylpyrrolidin-1-yl]-1-(p-tolyl)propan-2-amine (1R,2S)-1-[(3S)-3-methylpyrrolid…
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) | 2.46 | 7.71 | -115.99 | 4 | 2 | 2 | 32 | 234.387 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 5.9 | -37.29 | 3 | 2 | 1 | 31 | 233.379 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 7.38 | -31.42 | 3 | 2 | 1 | 30 | 233.379 | 3 | ↓ |