In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 29 | 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) | 3.87 | 5.31 | -22.73 | 3 | 9 | 0 | 141 | 432.483 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.32 | 4.71 | -92.4 | 1 | 9 | -2 | 147 | 430.467 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.87 | 6.08 | -43.91 | 2 | 9 | -1 | 144 | 431.475 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.