In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 27 | Yes |
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) | 3.42 | 5.71 | -18.18 | 2 | 6 | 0 | 84 | 401.513 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.88 | 4.47 | -48.86 | 1 | 6 | -1 | 87 | 400.505 | 6 | ↓ |