In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2008 | 21 | Yes |
Popular Name: (1S)-N,N-diethyl-N'-(4-methylcyclohexyl)-1-phenyl-ethane-1,2-diamine (1S)-N,N-diethyl-N'-(4-methylcyc…
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) | 4.14 | 11.57 | -118.42 | 3 | 2 | 2 | 21 | 290.495 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.14 | 9.29 | -30.87 | 2 | 2 | 1 | 16 | 289.487 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 9.74 | -37.61 | 2 | 2 | 1 | 20 | 289.487 | 7 | ↓ |