In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 10 | 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) | -0.32 | -0.18 | -40.21 | 0 | 5 | -1 | 62 | 137.122 | 1 | ↓ |
Lo Low (pH 4.5-6) | -0.32 | -0.19 | -7.28 | 1 | 5 | 0 | 64 | 138.13 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.