In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 30 | No |
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) | 5.16 | 9.55 | -10.14 | 0 | 5 | 0 | 57 | 421.433 | 2 | ↓ |
Lo Low (pH 4.5-6) | 5.16 | 10.89 | -33.45 | 1 | 5 | 1 | 59 | 422.441 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.