In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 16 | 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) | 2.37 | 5.98 | -49.6 | 1 | 4 | -1 | 65 | 241.336 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.37 | 6.39 | -61.88 | 2 | 4 | 0 | 66 | 242.344 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.37 | 5.27 | -33.63 | 3 | 4 | 1 | 63 | 243.352 | 8 | ↓ |