In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 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) | 4.07 | 9.15 | -34.92 | 1 | 2 | 1 | 8 | 326.302 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.07 | 6.87 | -2.1 | 0 | 2 | 0 | 6 | 325.294 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.07 | 9.15 | -37.13 | 1 | 2 | 1 | 8 | 326.302 | 5 | ↓ |