In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | 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) | 5.98 | 12.08 | -10.04 | 0 | 5 | 0 | 52 | 455.554 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.98 | 14.91 | -53.57 | 1 | 5 | 1 | 53 | 456.562 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.