In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2009 | 25 | Yes |
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) | 3.88 | 10.84 | -9.2 | 1 | 4 | 0 | 51 | 326.403 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.88 | 11.3 | -34.55 | 2 | 4 | 1 | 52 | 327.411 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.88 | 11.76 | -85.36 | 3 | 4 | 2 | 53 | 328.419 | 4 | ↓ |