In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 22nd, 2008 | 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) | -3.74 | 5.62 | -302.71 | 0 | 14 | -4 | 216 | 436.322 | 4 | ↓ |
Lo Low (pH 4.5-6) | -3.74 | 3.7 | -191.57 | 1 | 14 | -3 | 213 | 437.33 | 4 | ↓ |
Lo Low (pH 4.5-6) | -3.74 | 1.05 | -194.9 | 1 | 14 | -3 | 213 | 437.33 | 4 | ↓ |