In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 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) | 2.39 | 5.79 | -35.11 | 2 | 3 | 1 | 28 | 275.416 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 3.55 | -3.76 | 1 | 3 | 0 | 27 | 274.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.