In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2010 | 21 | No |
Popular Name: (4S)-1-(2-pyridylmethyl)-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one (4S)-1-(2-pyridylmethyl)-4-(thio…
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) | 0.13 | 6.17 | -16.44 | 0 | 5 | 0 | 54 | 305.403 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.13 | 6.58 | -38.51 | 1 | 5 | 1 | 55 | 306.411 | 3 | ↓ |