In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 13 | 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) | -2.07 | -2.64 | -43.13 | 6 | 4 | 1 | 91 | 181.215 | 3 | ↓ |
Hi High (pH 8-9.5) | -2.07 | -2.97 | -9.43 | 5 | 4 | 0 | 89 | 180.207 | 3 | ↓ |