In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 21 | Yes |
Popular Name: (2R)-N',N',3-trimethyl-N-(4-phenylcyclohexyl)butane-1,2-diamine (2R)-N',N',3-trimethyl-N-(4-phen…
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) | 4.24 | 9.14 | -38.49 | 2 | 2 | 1 | 20 | 289.487 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.24 | 11.3 | -31.92 | 2 | 2 | 1 | 16 | 289.487 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.24 | 11.19 | -125.02 | 3 | 2 | 2 | 21 | 290.495 | 6 | ↓ |