In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 22 | Yes |
Popular Name: 3-[[3-(benzyl-methyl-amino)propylamino]methyl]benzonitrile 3-[[3-(benzyl-methyl-amino)propy…
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) | 2.93 | 11.4 | -124.59 | 3 | 3 | 2 | 45 | 295.43 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 9.98 | -41.98 | 2 | 3 | 1 | 40 | 294.422 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.93 | 8.96 | -52.21 | 2 | 3 | 1 | 44 | 294.422 | 8 | ↓ |