In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | 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) | 0.92 | 3.92 | -28.88 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 4.17 | -27.19 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 2.2 | -46.28 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 4.28 | -103.38 | 4 | 4 | 2 | 45 | 271.449 | 5 | ↓ |