In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | 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) | 2.46 | 6.71 | -9.86 | 2 | 4 | 0 | 51 | 293.436 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 7.12 | -31.54 | 3 | 4 | 1 | 53 | 294.444 | 6 | ↓ |