In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 19 | 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) | 1.32 | 1.99 | -45.15 | 4 | 4 | 1 | 60 | 268.425 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 3.65 | -31.1 | 4 | 4 | 1 | 60 | 268.425 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.