In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 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) | 2.25 | 7.85 | -11.76 | 0 | 4 | 0 | 42 | 262.353 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 8.27 | -40.7 | 1 | 4 | 1 | 44 | 263.361 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.