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) | 3.32 | 7.38 | -11.62 | 0 | 6 | 0 | 55 | 406.482 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 8.12 | -53.57 | 1 | 6 | 0 | 56 | 407.49 | 4 | ↓ |