In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-1-(aminomethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)cyclohexanamine (1S,2S)-1-(aminomethyl)-N,2-dime…
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) | 3.04 | 6.93 | -119.48 | 4 | 2 | 2 | 32 | 254.462 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 5.23 | -41.1 | 3 | 2 | 1 | 31 | 253.454 | 3 | ↓ |