In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 17 | 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) | 1.75 | 3.4 | -18.14 | 1 | 5 | 0 | 64 | 226.239 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 2.97 | -48.57 | 0 | 5 | -1 | 62 | 225.231 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.