In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 28 | 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) | 0.56 | 8.08 | -16.26 | 0 | 9 | 0 | 80 | 383.456 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.56 | 8.49 | -45.64 | 1 | 9 | 1 | 81 | 384.464 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.