In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 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) | 6.03 | 8.71 | -8.41 | 3 | 3 | 0 | 52 | 377.528 | 5 | ↓ |
Lo Low (pH 4.5-6) | 6.03 | 9.23 | -40.44 | 4 | 3 | 1 | 57 | 378.536 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.