In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 25 | Yes |
Popular Name: N-[6-(4-isopentylpiperazin-1-yl)-3-pyridyl]thiophene-2-carboxamide N-[6-(4-isopentylpiperazin-1-yl)…
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) | 3.64 | 9.87 | -43.24 | 2 | 5 | 1 | 50 | 359.519 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 7.66 | -8.95 | 1 | 5 | 0 | 48 | 358.511 | 6 | ↓ |