In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 23rd, 2008 | 30 | 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) | 2.69 | 5.4 | -23.42 | 1 | 8 | 0 | 92 | 424.482 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.69 | 5.75 | -49.12 | 2 | 8 | 1 | 93 | 425.49 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.