In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 24 | 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) | 2.15 | 6.37 | -99.47 | 4 | 5 | 2 | 51 | 327.476 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.15 | 7.4 | -45.51 | 3 | 5 | 1 | 46 | 326.468 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 6.26 | -56.32 | 3 | 5 | 1 | 50 | 326.468 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 7.52 | -77.4 | 4 | 5 | 2 | 48 | 327.476 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 8.72 | -193.45 | 5 | 5 | 3 | 52 | 328.484 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.