In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2011 | 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) | 4.29 | 9.31 | -32.13 | 2 | 2 | 1 | 16 | 261.433 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.29 | 7.23 | -1.34 | 1 | 2 | 0 | 15 | 260.425 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.