In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 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) | 2.58 | 6.19 | -30.89 | 2 | 4 | 1 | 41 | 260.361 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 6.29 | -6.97 | 1 | 4 | 0 | 40 | 259.353 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.