In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 25 | 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) | 1.11 | 4.37 | -7.04 | 0 | 6 | 0 | 49 | 347.411 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.11 | 6.68 | -42.35 | 1 | 6 | 1 | 51 | 348.419 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.