In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 29 | No |
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) | 3.66 | 8.32 | -12.61 | 1 | 4 | 0 | 53 | 392.543 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.66 | 8.78 | -44.27 | 2 | 4 | 1 | 55 | 393.551 | 1 | ↓ |