In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 13 | 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) | 2.36 | 6.87 | -4.22 | 0 | 1 | 0 | 13 | 240.144 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 7.3 | -28.47 | 1 | 1 | 1 | 14 | 241.152 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.