In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 16th, 2010 | 29 | 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) | 3.35 | 8.91 | -16.43 | 1 | 6 | 0 | 63 | 386.455 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.35 | 9.34 | -31.25 | 2 | 6 | 1 | 65 | 387.463 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.