In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2006 | 31 | 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) | 4.43 | 10.85 | -60.87 | 0 | 5 | -1 | 70 | 422.476 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.87 | 1.14 | -21.42 | 1 | 5 | 0 | 66 | 423.484 | 5 | ↓ |