In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 15 | 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) | 3.09 | 6.64 | -5.38 | 0 | 2 | 0 | 22 | 264.122 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 7.08 | -36.83 | 1 | 2 | 1 | 23 | 265.13 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.