In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 32 | 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) | 2.24 | 10.05 | -64.88 | 1 | 9 | -1 | 134 | 469.524 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 7.59 | -126.35 | 0 | 9 | -2 | 137 | 468.516 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.