In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 21 | No |
Popular Name: N-(3,5-dichloro-2-pyridyl)-2-[(3R)-3-(methylaminomethyl)-1-piperidyl]acetamide N-(3,5-dichloro-2-pyridyl)-2-[(3…
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) | 2.44 | 4.48 | -62.91 | 2 | 5 | 0 | 68 | 331.247 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 6.11 | -41.12 | 3 | 5 | 1 | 58 | 332.255 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 5.24 | -46.13 | 3 | 5 | 1 | 62 | 332.255 | 5 | ↓ |