In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 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) | 0.93 | 6.12 | -41.23 | 1 | 3 | -1 | 52 | 226.683 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.93 | 4.17 | -5.57 | 2 | 3 | 0 | 49 | 227.691 | 3 | ↓ |