In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2008 | 15 | 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) | 1.58 | 4.39 | -32.29 | 2 | 3 | 1 | 28 | 213.345 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.58 | 1.92 | -2.89 | 1 | 3 | 0 | 27 | 212.337 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.58 | 3.65 | -30.25 | 2 | 3 | 1 | 28 | 213.345 | 2 | ↓ |