In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2011 | 18 | No |
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) | 5.61 | 11.13 | -106.73 | 3 | 2 | 2 | 21 | 258.494 | 14 | ↓ |
Mid Mid (pH 6-8) | 5.61 | 8.82 | -35.63 | 2 | 2 | 1 | 20 | 257.486 | 14 | ↓ |
Mid Mid (pH 6-8) | 5.61 | 9.69 | -32.64 | 2 | 2 | 1 | 16 | 257.486 | 14 | ↓ |