In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 13 | Yes |
Popular Name: (1S,2S,4R)-N2,4-dimethyl-N2-propyl-cyclohexane-1,2-diamine (1S,2S,4R)-N2,4-dimethyl-N2-prop…
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) | 1.49 | 4.85 | -115.84 | 4 | 2 | 2 | 32 | 186.343 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 4.55 | -30.24 | 3 | 2 | 1 | 30 | 185.335 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 2.99 | -38.38 | 3 | 2 | 1 | 31 | 185.335 | 3 | ↓ |