In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R,2S)-N2-(cyclohexylmethyl)-N1,N2-dimethyl-1-phenyl-propane-1,2-diamine (1R,2S)-N2-(cyclohexylmethyl)-N1…
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) | 4.33 | 10.72 | -116.53 | 3 | 2 | 2 | 21 | 276.468 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.33 | 8.92 | -37.98 | 2 | 2 | 1 | 20 | 275.46 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.33 | 8.62 | -32.84 | 2 | 2 | 1 | 16 | 275.46 | 6 | ↓ |