In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | 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) | 4.16 | 11.02 | -45.48 | 0 | 4 | -1 | 58 | 391.188 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.16 | 11.41 | -36.86 | 1 | 4 | 0 | 59 | 392.196 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.