In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 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) | 1.91 | 6.07 | -29.41 | 1 | 3 | 1 | 17 | 235.351 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 4.21 | -3.83 | 0 | 3 | 0 | 16 | 234.343 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 8.44 | -102.49 | 2 | 3 | 2 | 18 | 236.359 | 3 | ↓ |