In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 15 | 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) | 1.55 | 2.61 | -8.57 | 1 | 4 | 0 | 59 | 224.647 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 0.25 | -42.51 | 0 | 4 | -1 | 62 | 223.639 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.