In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 16 | 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) | -0.34 | 4.47 | -39.33 | 3 | 4 | 1 | 57 | 221.28 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.34 | 4.06 | -10.01 | 2 | 4 | 0 | 56 | 220.272 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.