In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 19 | Yes |
Popular Name: (1R,2R,4S)-2-[cyclopropylmethyl(isopropyl)amino]-4-propyl-cyclohexanecarbonitrile (1R,2R,4S)-2-[cyclopropylmethyl(…
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) | 4.69 | 10.95 | -41.34 | 1 | 2 | 1 | 28 | 263.449 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.69 | 9.67 | -3.66 | 0 | 2 | 0 | 27 | 262.441 | 6 | ↓ |