In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 17 | 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) | 2.68 | 8.43 | -107.13 | 0 | 4 | -2 | 80 | 238.283 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.68 | 6.41 | -41.53 | 1 | 4 | -1 | 77 | 239.291 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.68 | 4.58 | -6.2 | 2 | 4 | 0 | 75 | 240.299 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.68 | 6.59 | -48.21 | 1 | 4 | -1 | 77 | 239.291 | 4 | ↓ |