In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 30 | 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) | 5.81 | 10.43 | -84.21 | 0 | 4 | -2 | 71 | 446.682 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.27 | 12.24 | -41.1 | 1 | 4 | -1 | 65 | 447.69 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.73 | 13.68 | -12.81 | 2 | 4 | 0 | 58 | 448.698 | 9 | ↓ |