In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 17 | No |
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) | 3.24 | 4.73 | -10.98 | 3 | 3 | 0 | 51 | 263.753 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.24 | 5.27 | -42.92 | 4 | 3 | 1 | 52 | 264.761 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.