In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 14 | 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) | 0.88 | 0.69 | -1.99 | 1 | 3 | 0 | 24 | 198.31 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.88 | 3.12 | -32.49 | 2 | 3 | 1 | 26 | 199.318 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.88 | 4.45 | -108.76 | 3 | 3 | 2 | 30 | 200.326 | 2 | ↓ |