In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2006 | 30 | Yes |
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) | 3.10 | 12.67 | -61.5 | 1 | 7 | -1 | 105 | 406.414 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.10 | 10.68 | -16.48 | 2 | 7 | 0 | 102 | 407.422 | 6 | ↓ |