In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 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) | 2.00 | 5.1 | -47.72 | 1 | 6 | -1 | 103 | 324.359 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 5.11 | -123.48 | 0 | 6 | -2 | 105 | 323.351 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.