In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2008 | 20 | 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) | 1.76 | 10.52 | -12.63 | 0 | 3 | 0 | 43 | 262.312 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 10.33 | -73.48 | 2 | 3 | 2 | 45 | 264.328 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 10.24 | -24.47 | 1 | 3 | 1 | 44 | 263.32 | 2 | ↓ |