In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | Yes |
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) | 3.17 | 5.58 | -15.12 | 0 | 8 | 0 | 74 | 480.561 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.17 | 7.84 | -54.53 | 1 | 8 | 1 | 75 | 481.569 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.17 | 8.41 | -60.7 | 1 | 8 | 1 | 75 | 481.569 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.17 | 10.69 | -136.33 | 2 | 8 | 2 | 76 | 482.577 | 7 | ↓ |