In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 31 | Yes |
Popular Name: 1-[7-methyl-3-[(1-naphthylmethylamino)methyl]-2-quinolyl]piperidin-4-ol 1-[7-methyl-3-[(1-naphthylmethyl…
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) | 3.88 | 10.07 | -31.55 | 3 | 4 | 1 | 50 | 412.557 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.88 | 9.75 | -9.88 | 2 | 4 | 0 | 48 | 411.549 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.88 | 11.19 | -52.5 | 3 | 4 | 1 | 53 | 412.557 | 5 | ↓ |