| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | Yes |
Popular Name: (4-amino-1H-pyrrol-2-yl)-(4-isopropylpiperazin-1-yl)methanone (4-amino-1H-pyrrol-2-yl)-(4-isop…
| 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) | 0.51 | 3.63 | -43.58 | 4 | 5 | 1 | 67 | 237.327 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 1.48 | -9.47 | 3 | 5 | 0 | 65 | 236.319 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 2.43 | -94.74 | 4 | 5 | 2 | 65 | 238.335 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 0.28 | -52.37 | 3 | 5 | 1 | 64 | 237.327 | 2 | ↓ |
