In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2011 | 17 | No |
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) | 0.99 | -0.32 | -7.76 | 1 | 5 | 0 | 58 | 235.287 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 1.88 | -42.57 | 2 | 5 | 1 | 59 | 236.295 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.