In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2009 | 34 | 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) | 3.86 | 10.22 | -24.91 | 2 | 8 | 0 | 98 | 483.5 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.93 | 9.3 | -52.14 | 1 | 8 | -1 | 104 | 482.492 | 7 | ↓ |