| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 17 | Yes |
Popular Name: N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine N-[(4,5-dimethyl-1,2,4-triazol-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) | 0.01 | 6.14 | -37.29 | 2 | 5 | 1 | 47 | 238.359 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.01 | 4.36 | -10.13 | 1 | 5 | 0 | 46 | 237.351 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 5.69 | -47.26 | 2 | 5 | 1 | 51 | 238.359 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 7.5 | -121.66 | 3 | 5 | 2 | 52 | 239.367 | 5 | ↓ |
