In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 29 | 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) | 1.59 | 6.9 | -28.43 | 2 | 10 | 0 | 127 | 429.487 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 5.14 | -106.41 | 0 | 10 | -2 | 137 | 427.471 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.