In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2008 | 36 | 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) | 5.07 | 9.01 | -41.72 | 1 | 6 | -1 | 83 | 521.478 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.48 | 3.39 | -34.48 | 2 | 6 | 1 | 79 | 523.494 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.53 | 9.73 | -19.01 | 2 | 6 | 0 | 77 | 522.486 | 9 | ↓ |