In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 27 | Yes |
None
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) | 4.45 | -2.71 | -50.87 | 1 | 5 | 1 | 56 | 388.557 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.45 | -2.44 | -112.28 | 2 | 5 | 2 | 58 | 389.565 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.