In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 24 | 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) | 1.11 | 0.44 | -45.42 | 0 | 7 | -1 | 97 | 324.316 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.65 | 3.02 | -9.11 | 1 | 7 | 0 | 94 | 325.324 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.65 | 4.01 | -43.7 | 2 | 7 | 1 | 95 | 326.332 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.11 | 1.59 | -56.29 | 1 | 7 | 0 | 98 | 325.324 | 4 | ↓ |