In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 26 | 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) | 3.40 | 3.74 | -45.59 | 2 | 7 | 1 | 79 | 351.434 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.40 | 2.07 | -5.57 | 1 | 7 | 0 | 78 | 350.426 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.40 | 5.15 | -152.2 | 3 | 7 | 2 | 84 | 352.442 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.