In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2009 | 38 | 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) | -1.89 | 1.25 | -115.81 | 5 | 16 | -2 | 257 | 569.445 | 11 | ↓ |
Hi High (pH 8-9.5) | -1.89 | 2.18 | -174.88 | 4 | 16 | -3 | 260 | 568.437 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.