In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2008 | 18 | 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) | 2.02 | 3.13 | -15.66 | 0 | 4 | 0 | 48 | 240.262 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 3.41 | -47.35 | 1 | 4 | 1 | 49 | 241.27 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.