In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 29 | 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) | 0.23 | 1.22 | -77.41 | 2 | 9 | -1 | 133 | 402.379 | 9 | ↓ |
Mid Mid (pH 6-8) | -0.35 | 2.15 | -18.61 | 2 | 9 | 0 | 127 | 403.387 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.23 | 1.62 | -18.67 | 3 | 9 | 0 | 130 | 403.387 | 9 | ↓ |