In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2008 | 33 | 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) | 3.28 | 8.86 | -48.41 | 3 | 7 | 1 | 82 | 446.575 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 6.77 | -20.83 | 2 | 7 | 0 | 81 | 445.567 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.28 | 9.85 | -77.27 | 4 | 7 | 2 | 84 | 447.583 | 5 | ↓ |