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) | 5.01 | 9.26 | -15.49 | 0 | 6 | 0 | 61 | 508.368 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.01 | 12.11 | -62.95 | 1 | 6 | 1 | 62 | 509.376 | 5 | ↓ |