In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 13 | 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) | 0.64 | 4.06 | -48.34 | 2 | 3 | 1 | 37 | 183.275 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.64 | 2.7 | -6.75 | 1 | 3 | 0 | 32 | 182.267 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.