In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | Yes |
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) | 4.95 | 9.32 | -15.27 | 0 | 6 | 0 | 61 | 447.462 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.95 | 12.17 | -52.68 | 1 | 6 | 1 | 62 | 448.47 | 5 | ↓ |