In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 18 | Yes |
Popular Name: 2-hydroxy-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-4-methyl-benzamide 2-hydroxy-N-[(3R,4S)-4-methoxypy…
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) | 1.65 | 1.86 | -45.44 | 4 | 5 | 1 | 75 | 251.306 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.65 | 0.4 | -9.23 | 3 | 5 | 0 | 71 | 250.298 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.65 | 1.4 | -56.29 | 2 | 5 | -1 | 73 | 249.29 | 3 | ↓ |