In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | 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) | 4.66 | 7.56 | -7.9 | 0 | 6 | 0 | 55 | 489.399 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.66 | 9.82 | -46.09 | 1 | 6 | 1 | 56 | 490.407 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.66 | 10.42 | -52.5 | 1 | 6 | 1 | 56 | 490.407 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.66 | 12.69 | -126.54 | 2 | 6 | 2 | 58 | 491.415 | 5 | ↓ |