In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2010 | 21 | 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) | 1.80 | 9.71 | -72.72 | 2 | 3 | 1 | 39 | 279.363 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 8.35 | -14.85 | 1 | 3 | 0 | 34 | 278.355 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.