In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2009 | 29 | 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) | 2.36 | 7.36 | -14.6 | 2 | 7 | 0 | 97 | 424.404 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 5.58 | -51.14 | 1 | 7 | -1 | 100 | 423.396 | 6 | ↓ |