In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | Yes |
Popular Name: [1-[3-(aminomethyl)-2-quinolyl]-4-piperidyl]methanol [1-[3-(aminomethyl)-2-quinolyl]-…
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) | 1.64 | 3.87 | -52.99 | 4 | 4 | 1 | 64 | 272.372 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 3.54 | -8.2 | 3 | 4 | 0 | 62 | 271.364 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 4.31 | -102.91 | 5 | 4 | 2 | 65 | 273.38 | 3 | ↓ |