In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 16 | 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) | 0.56 | 7.43 | -119.15 | 4 | 2 | 2 | 32 | 220.36 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.56 | 5.53 | -2.25 | 2 | 2 | 0 | 29 | 218.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.56 | 5.78 | -36.33 | 3 | 2 | 1 | 31 | 219.352 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.56 | 7.12 | -33.44 | 3 | 2 | 1 | 30 | 219.352 | 3 | ↓ |