In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 20 | 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) | 2.43 | 7.22 | -35.28 | 2 | 4 | 1 | 51 | 276.356 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 4.6 | -8.22 | 1 | 4 | 0 | 50 | 275.348 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.