In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2010 | 24 | Yes |
Popular Name: 2-[(E)-cinnamyl]sulfanyl-N-[(3S)-pyrrolidin-3-yl]pyridine-3-carboxamide 2-[(E)-cinnamyl]sulfanyl-N-[(3S)…
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) | 3.04 | 7.86 | -53.97 | 3 | 4 | 1 | 59 | 340.472 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 6.42 | -12.27 | 2 | 4 | 0 | 54 | 339.464 | 6 | ↓ |