In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 15 | Yes |
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) | 2.28 | 5.41 | -6.62 | 2 | 3 | 0 | 52 | 219.675 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.28 | 5.65 | -29.97 | 3 | 3 | 1 | 53 | 220.683 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.28 | 2.13 | -31.89 | 3 | 3 | 1 | 53 | 220.683 | 1 | ↓ |