| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | Yes |
Popular Name: (4-amino-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone (4-amino-1H-pyrrol-2-yl)-(4-ethy…
| 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) | 0.21 | 3.13 | -45.64 | 4 | 5 | 1 | 67 | 223.3 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.21 | 0.91 | -9.54 | 3 | 5 | 0 | 65 | 222.292 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | -0.3 | -52.53 | 3 | 5 | 1 | 64 | 223.3 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 1.93 | -96.14 | 4 | 5 | 2 | 65 | 224.308 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | -0.11 | -9 | 2 | 5 | 0 | 62 | 222.292 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 2.11 | -39.67 | 3 | 5 | 1 | 63 | 223.3 | 2 | ↓ |
