In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 18 | 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) | 2.79 | 9.64 | -41.08 | 1 | 2 | 1 | 22 | 244.358 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 7.41 | -5.7 | 0 | 2 | 0 | 20 | 243.35 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.