In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2007 | 31 | 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) | 3.30 | -6.96 | -15.89 | 1 | 8 | 0 | 102 | 468.597 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.30 | -6.49 | -48.39 | 0 | 8 | -1 | 104 | 467.589 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.