In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 38 | 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) | 2.80 | 5.57 | -18.45 | 3 | 13 | 0 | 159 | 521.513 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 7.9 | -53.59 | 4 | 13 | 1 | 160 | 522.521 | 9 | ↓ |