In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2008 | 16 | Yes |
None
None
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 | 7.55 | -27.03 | 2 | 2 | 1 | 16 | 217.336 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 7.97 | -107.66 | 3 | 2 | 2 | 21 | 218.344 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 7.65 | -30.29 | 2 | 2 | 1 | 20 | 217.336 | 2 | ↓ |