In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 16 | 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) | 2.05 | 7.44 | -103.19 | 3 | 2 | 2 | 21 | 224.392 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 6.09 | -32.59 | 2 | 2 | 1 | 16 | 223.384 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 5.25 | -37.51 | 2 | 2 | 1 | 20 | 223.384 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.