In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 31 | Yes |
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) | 4.88 | 10.99 | -12.91 | 0 | 5 | 0 | 52 | 420.553 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.88 | 11.65 | -37.28 | 1 | 5 | 1 | 53 | 421.561 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.