In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 19 | 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) | 3.80 | 6.35 | -5.85 | 1 | 2 | 0 | 33 | 255.361 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 6.81 | -33.56 | 2 | 2 | 1 | 34 | 256.369 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.