In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2004 | 24 | 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) | 4.72 | 10.2 | -42.21 | 2 | 3 | 1 | 35 | 344.862 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.72 | 9.05 | -3.76 | 1 | 3 | 0 | 30 | 343.854 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.