In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 34 | 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) | 1.90 | 8.39 | -69.6 | 2 | 8 | 0 | 98 | 465.529 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 7.78 | -49.58 | 3 | 8 | 1 | 95 | 466.537 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 6.52 | -10.88 | 2 | 8 | 0 | 94 | 465.529 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 7.13 | -55.23 | 1 | 8 | -1 | 97 | 464.521 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.90 | 9.48 | -99.91 | 4 | 8 | 2 | 97 | 467.545 | 6 | ↓ |