In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 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) | 2.44 | 5.53 | -26.03 | 4 | 3 | 1 | 52 | 206.313 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 5.17 | -4.43 | 3 | 3 | 0 | 51 | 205.305 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.