In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 31st, 2008 | 21 | 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) | -0.16 | 4.87 | -55.91 | 1 | 6 | 1 | 48 | 297.423 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.16 | 7.22 | -102.3 | 2 | 6 | 2 | 49 | 298.431 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.16 | 2.52 | -18.53 | 0 | 6 | 0 | 47 | 296.415 | 4 | ↓ |