In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 20 | Yes |
Popular Name: 6-chloro-N-[(2S)-2-(1-piperidyl)propyl]pyridine-3-sulfonamide 6-chloro-N-[(2S)-2-(1-piperidyl)…
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) | 2.22 | 3.87 | -44.63 | 2 | 5 | 1 | 63 | 318.85 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 3.45 | -27.97 | 1 | 5 | 0 | 66 | 317.842 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 1.96 | -8.63 | 1 | 5 | 0 | 62 | 317.842 | 5 | ↓ |