In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 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) | 1.58 | 7.11 | -25.9 | 2 | 9 | 0 | 118 | 399.461 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 5.33 | -102.88 | 0 | 9 | -2 | 127 | 397.445 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.