In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 16 | Yes |
Popular Name: [1-[(1S)-1-(5-chloro-2-thienyl)ethyl]-4-piperidyl]methanamine [1-[(1S)-1-(5-chloro-2-thienyl)e…
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) | 2.58 | 6.61 | -102.85 | 4 | 2 | 2 | 32 | 260.834 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 4.39 | -44.86 | 3 | 2 | 1 | 31 | 259.826 | 3 | ↓ |