In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | Yes |
Popular Name: (1S,2R,4S)-N2,4-diethyl-N2-isopropyl-cyclohexane-1,2-diamine (1S,2R,4S)-N2,4-diethyl-N2-isopr…
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) | 2.35 | 5.6 | -109.92 | 4 | 2 | 2 | 32 | 214.397 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.35 | 3.52 | -39.25 | 3 | 2 | 1 | 31 | 213.389 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.35 | 6.18 | -25.22 | 3 | 2 | 1 | 30 | 213.389 | 4 | ↓ |