In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 27 | 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) | 4.07 | 11.25 | -44.51 | 2 | 3 | 1 | 34 | 362.493 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.07 | 8.65 | -7.59 | 1 | 3 | 0 | 33 | 361.485 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.