In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | Yes |
Popular Name: [2-[(3S)-3-methyl-1-piperidyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-[(3S)-3-methyl-1-piperidyl]-6…
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) | 2.30 | 7.26 | -98.92 | 4 | 3 | 2 | 45 | 247.386 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 6.84 | -48.81 | 3 | 3 | 1 | 44 | 246.378 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 6.83 | -21.9 | 3 | 3 | 1 | 43 | 246.378 | 2 | ↓ |