In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 21 | Yes |
Popular Name: (1S,2R)-2-(aminomethyl)-N,N-dicyclohexyl-cyclohexanamine (1S,2R)-2-(aminomethyl)-N,N-dicy…
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) | 4.73 | 9.18 | -111.42 | 4 | 2 | 2 | 32 | 294.527 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.73 | 7.73 | -43.55 | 3 | 2 | 1 | 31 | 293.519 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.73 | 8.84 | -28.55 | 3 | 2 | 1 | 30 | 293.519 | 4 | ↓ |