In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 20 | 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) | 2.50 | 9.74 | -37.24 | 2 | 2 | 1 | 16 | 291.484 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 8.07 | -47.76 | 2 | 2 | 1 | 20 | 291.484 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.