In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 18 | Yes |
Popular Name: (2S)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-1-(1-piperidyl)propan-2-amine (2S)-N-[(1S)-1-(5-chloro-2-thien…
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) | 4.02 | 8.34 | -35.97 | 2 | 2 | 1 | 16 | 287.88 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.02 | 9.51 | -114.86 | 3 | 2 | 2 | 21 | 288.888 | 5 | ↓ |