In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | 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) | 5.33 | 11.27 | -35.53 | 2 | 6 | 1 | 71 | 470.593 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.33 | 11.69 | -43.9 | 0 | 6 | -1 | 73 | 468.577 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.33 | 10.93 | -10.32 | 1 | 6 | 0 | 70 | 469.585 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.33 | 13.48 | -104.29 | 3 | 6 | 2 | 72 | 471.601 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.33 | 13.14 | -46.88 | 2 | 6 | 1 | 71 | 470.593 | 5 | ↓ |