In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 17 | 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) | -1.66 | 3.31 | -103.76 | 5 | 4 | 2 | 65 | 235.331 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.66 | 1.61 | -6.12 | 3 | 4 | 0 | 58 | 233.315 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.66 | 1.9 | -41.3 | 4 | 4 | 1 | 60 | 234.323 | 3 | ↓ |