In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 22 | 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) | 3.91 | 11.78 | -41.52 | 1 | 3 | 1 | 21 | 296.438 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.91 | 9.55 | -5.51 | 0 | 3 | 0 | 19 | 295.43 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.91 | 9.86 | -28.92 | 1 | 3 | 1 | 21 | 296.438 | 5 | ↓ |