In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | 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) | 3.58 | 5.67 | -12.27 | 0 | 7 | 0 | 64 | 450.535 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 8.51 | -56.9 | 1 | 7 | 1 | 66 | 451.543 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 7.93 | -51.2 | 1 | 7 | 1 | 66 | 451.543 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 10.79 | -132.1 | 2 | 7 | 2 | 67 | 452.551 | 6 | ↓ |