In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 17 | Yes |
Popular Name: (1S,2S)-1-(aminomethyl)-N-cyclopentyl-N-ethyl-2-methyl-cyclohexanamine (1S,2S)-1-(aminomethyl)-N-cyclop…
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) | 3.14 | 6.43 | -113.33 | 4 | 2 | 2 | 32 | 240.435 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.14 | 4.8 | -41.28 | 3 | 2 | 1 | 31 | 239.427 | 4 | ↓ |