In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | 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) | 4.69 | 9.36 | -10.57 | 1 | 6 | 0 | 66 | 460.505 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.69 | 9.95 | -47.2 | 0 | 6 | -1 | 69 | 459.497 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.69 | 11.61 | -45.68 | 2 | 6 | 1 | 67 | 461.513 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.69 | 12.17 | -32.27 | 1 | 6 | 0 | 70 | 460.505 | 5 | ↓ |