In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 25 | No |
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) | 3.69 | 12.21 | -26.63 | 0 | 5 | 0 | 38 | 393.969 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.69 | 13.85 | -65.04 | 1 | 5 | 1 | 40 | 394.977 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.