In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: (3R)-1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidine-3-carboxamide (3R)-1-[3-(aminomethyl)-6,7-dihy…
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) | 0.66 | 3.27 | -101.91 | 6 | 5 | 2 | 88 | 276.384 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.66 | 2.86 | -49.37 | 5 | 5 | 1 | 87 | 275.376 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.66 | 2.86 | -28.8 | 5 | 5 | 1 | 86 | 275.376 | 3 | ↓ |