In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2006 | 35 | 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) | -0.20 | -2.39 | -86.5 | 4 | 10 | 2 | 120 | 475.553 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.20 | -2.28 | -150.47 | 5 | 10 | 3 | 121 | 476.561 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.