In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | No |
None
None
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) | 3.82 | 7.27 | -9.72 | 0 | 6 | 0 | 55 | 434.536 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 10.15 | -52.39 | 1 | 6 | 1 | 56 | 435.544 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 9.54 | -47.13 | 1 | 6 | 1 | 56 | 435.544 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.82 | 12.42 | -125.75 | 2 | 6 | 2 | 58 | 436.552 | 5 | ↓ |