In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 18 | 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) | 2.12 | 5.66 | -40.63 | 2 | 4 | 1 | 42 | 268.406 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 4.22 | -5.14 | 1 | 4 | 0 | 37 | 267.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.