In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 25 | 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) | 3.09 | 8.42 | -49.78 | 3 | 5 | 1 | 64 | 334.399 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.09 | 7.35 | -12.03 | 2 | 5 | 0 | 59 | 333.391 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 7.81 | -37.46 | 3 | 5 | 1 | 60 | 334.399 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 8.88 | -111.37 | 4 | 5 | 2 | 65 | 335.407 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.