In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 16th, 2011 | 26 | 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) | 3.57 | 6.7 | -10.67 | 1 | 5 | 0 | 66 | 439.43 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.57 | 6.95 | -44.24 | 0 | 5 | -1 | 69 | 438.422 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.