In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | No |
None
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) | 3.04 | 6.52 | -11.43 | 0 | 9 | 0 | 101 | 451.479 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 8.79 | -51.73 | 1 | 9 | 1 | 102 | 452.487 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.04 | 9.38 | -56.52 | 1 | 9 | 1 | 102 | 452.487 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.