In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | 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) | 3.73 | 8.32 | -35.72 | 2 | 3 | 1 | 42 | 288.411 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.73 | 9.06 | -23.45 | 1 | 3 | 0 | 45 | 287.403 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.