| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 21 | Yes |
Popular Name: 1-[2-(aminomethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]methanesulfonamide 1-[2-(aminomethyl)phenyl]-N-[[(2…
| 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) | 1.00 | 3.28 | -58.57 | 4 | 5 | 1 | 80 | 312.459 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 1.07 | -12.1 | 3 | 5 | 0 | 75 | 311.451 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 1.46 | -57.02 | 4 | 5 | 1 | 77 | 312.459 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 3.21 | -40 | 4 | 5 | 1 | 77 | 312.459 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 3.58 | -107.91 | 5 | 5 | 2 | 78 | 313.467 | 7 | ↓ |
