| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 19 | Yes |
Popular Name: (2S)-3-[[3-(hydroxymethyl)-2-quinolyl]-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[3-(hydroxymethyl)-2-qui…
| 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) | 2.18 | 5.95 | -9.82 | 1 | 4 | 0 | 60 | 255.321 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 6.4 | -32.76 | 2 | 4 | 1 | 61 | 256.329 | 4 | ↓ |
