In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2008 | 25 | 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) | 2.26 | 3.95 | -16.96 | 3 | 8 | 0 | 107 | 381.845 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 2.42 | -55.4 | 2 | 8 | -1 | 114 | 380.837 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.