In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 28 | 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) | 1.22 | 0.33 | -13.93 | 4 | 9 | 0 | 122 | 391.472 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 2.61 | -50.43 | 5 | 9 | 1 | 123 | 392.48 | 5 | ↓ |