In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 20 | 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) | 3.95 | 9.63 | -33.78 | 1 | 2 | 1 | 8 | 273.444 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 7.37 | -1.82 | 0 | 2 | 0 | 6 | 272.436 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.95 | 9.69 | -34.44 | 1 | 2 | 1 | 8 | 273.444 | 4 | ↓ |