In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 18 | 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) | 3.23 | 4.64 | -4.53 | 2 | 3 | 0 | 41 | 264.756 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 4.53 | -7.28 | 2 | 3 | 0 | 41 | 264.756 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 5.74 | -37.66 | 3 | 3 | 1 | 46 | 265.764 | 2 | ↓ |