In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 12 | 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) | 0.51 | 4.81 | -43.74 | 1 | 5 | 1 | 58 | 165.176 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.51 | 4.29 | -15.49 | 0 | 5 | 0 | 57 | 164.168 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.