In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 22 | 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) | 2.41 | 8.91 | -39.27 | 1 | 4 | 1 | 34 | 301.41 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.41 | 6.78 | -7.58 | 0 | 4 | 0 | 33 | 300.402 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.