In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 25 | 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) | 2.73 | 8.74 | -168.7 | 3 | 6 | 3 | 67 | 342.467 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 8.32 | -115.83 | 2 | 6 | 2 | 66 | 341.459 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.