In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 28 | 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) | 3.00 | 5.57 | -22.66 | 2 | 7 | 0 | 93 | 419.528 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.46 | 4.1 | -52.84 | 1 | 7 | -1 | 96 | 418.52 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.