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) | 5.08 | 8.93 | -9.28 | 0 | 6 | 0 | 55 | 476.617 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.08 | 11.2 | -46.7 | 1 | 6 | 1 | 56 | 477.625 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.08 | 11.78 | -51.92 | 1 | 6 | 1 | 56 | 477.625 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.08 | 14.06 | -125.46 | 2 | 6 | 2 | 58 | 478.633 | 6 | ↓ |