In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 34 | 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) | 3.93 | 9.1 | -69.41 | 2 | 7 | 1 | 80 | 486.589 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.93 | 6.75 | -21.21 | 1 | 7 | 0 | 79 | 485.581 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.