In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-2-[3-[benzyl(methyl)amino]propylamino]cyclohexanecarbonitrile (1S,2R)-2-[3-[benzyl(methyl)amin…
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) | 3.35 | 9.23 | -43.86 | 2 | 3 | 1 | 40 | 286.443 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.35 | 7.98 | -49.11 | 2 | 3 | 1 | 44 | 286.443 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.35 | 10.29 | -119.21 | 3 | 3 | 2 | 45 | 287.451 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.