In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2008 | 29 | 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) | 1.78 | 6.12 | -60.69 | 0 | 7 | -1 | 92 | 395.435 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.19 | 7.25 | -61.55 | 1 | 7 | 1 | 87 | 397.451 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.78 | 5.31 | -18.59 | 1 | 7 | 0 | 89 | 396.443 | 8 | ↓ |