In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 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) | 1.68 | 4.63 | -11.45 | 1 | 3 | 0 | 42 | 206.289 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.86 | 2.45 | -31.33 | 2 | 3 | 1 | 47 | 207.297 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 4.99 | -37.23 | 2 | 3 | 1 | 43 | 207.297 | 5 | ↓ |