In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 18 | 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) | 1.40 | 6.15 | -84.15 | 3 | 4 | 2 | 34 | 251.374 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 3.69 | -43.25 | 2 | 4 | 1 | 32 | 250.366 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 2.38 | -5.28 | 1 | 4 | 0 | 28 | 249.358 | 5 | ↓ |