In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | 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) | 3.33 | 6.37 | -10.83 | 1 | 7 | 0 | 81 | 427.497 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 5.61 | -49.16 | 0 | 7 | -1 | 84 | 426.489 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 7.82 | -35.74 | 1 | 7 | 0 | 85 | 427.497 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 7.07 | -41.06 | 2 | 7 | 1 | 83 | 428.505 | 10 | ↓ |