In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N-ethyl-2-[4-(1-piperidyl)-1-piperidyl]cyclopentanamine (1S,2S)-N-ethyl-2-[4-(1-piperidy…
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) | 2.71 | 6.41 | -31.05 | 2 | 3 | 1 | 20 | 280.48 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.71 | 8.8 | -97.68 | 3 | 3 | 2 | 21 | 281.488 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.71 | 7.74 | -83.38 | 3 | 3 | 2 | 24 | 281.488 | 4 | ↓ |