In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 20 | 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) | 1.07 | 7.22 | -59.34 | 2 | 5 | 1 | 57 | 271.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.07 | 6.05 | -10.59 | 1 | 5 | 0 | 52 | 270.336 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.