In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2009 | 22 | Yes |
Popular Name: 4-[[(2R)-2-(4-ethylpiperazin-1-yl)propanoyl]amino]benzamide 4-[[(2R)-2-(4-ethylpiperazin-1-y…
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) | 0.56 | 2.21 | -43.93 | 4 | 6 | 1 | 80 | 305.402 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.56 | -0.17 | -15.59 | 3 | 6 | 0 | 79 | 304.394 | 5 | ↓ |