In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 18 | No |
Popular Name: N-[(3S)-1-isopropylpyrrolidin-3-yl]-2-thioxo-1H-pyridine-3-carboxamide N-[(3S)-1-isopropylpyrrolidin-3-…
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) | 1.40 | 5.41 | -76.17 | 2 | 4 | 0 | 46 | 265.382 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.67 | 5.74 | -65.82 | 3 | 4 | 1 | 49 | 266.39 | 3 | ↓ |