In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 30 | 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) | 3.58 | 7.5 | -10.5 | 0 | 6 | 0 | 55 | 408.498 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 11.12 | -111.12 | 2 | 6 | 0 | 58 | 410.514 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 10.37 | -49.34 | 1 | 6 | 1 | 56 | 409.506 | 6 | ↓ |