In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 9th, 2006 | 22 | 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) | 2.14 | -2.17 | -16.78 | 5 | 7 | 0 | 131 | 302.238 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.14 | -1.13 | -47.35 | 4 | 7 | -1 | 134 | 301.23 | 1 | ↓ |