In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 17 | Yes |
Popular Name: 1-[(1S,2S)-2-(ethylamino)cyclopentyl]-N,N-dimethyl-piperidin-4-amine 1-[(1S,2S)-2-(ethylamino)cyclope…
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) | 1.80 | 5.89 | -83.2 | 3 | 3 | 2 | 24 | 241.423 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 5.63 | -108.81 | 3 | 3 | 2 | 24 | 241.423 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 4.76 | -31.91 | 2 | 3 | 1 | 20 | 240.415 | 4 | ↓ |