In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2009 | 33 | Yes |
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) | -0.72 | 9.17 | -125.05 | 7 | 11 | -1 | 200 | 455.495 | 10 | ↓ |
Mid Mid (pH 6-8) | -0.72 | 8.71 | -118.9 | 6 | 11 | -2 | 199 | 454.487 | 10 | ↓ |
Lo Low (pH 4.5-6) | -0.72 | 7.19 | -76.71 | 8 | 11 | 0 | 198 | 456.503 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.