In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2008 | 24 | 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) | 4.15 | 10.86 | -37.15 | 1 | 3 | 1 | 17 | 325.476 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.15 | 8.4 | -5.34 | 0 | 3 | 0 | 16 | 324.468 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.15 | 10.72 | -38.89 | 1 | 3 | 1 | 17 | 325.476 | 7 | ↓ |