In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2009 | 31 | No |
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) | 4.60 | 6.51 | -11.69 | 2 | 6 | 0 | 81 | 415.493 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.60 | 6.95 | -54.68 | 3 | 6 | 1 | 82 | 416.501 | 4 | ↓ |