In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2009 | 35 | 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) | 1.29 | 8.39 | -38.26 | 3 | 8 | 0 | 124 | 474.513 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 8.38 | -53.7 | 2 | 8 | -1 | 119 | 473.505 | 6 | ↓ |