In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 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) | 4.19 | 12.37 | -41.61 | 2 | 6 | 1 | 64 | 437.033 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 10.38 | -9.92 | 1 | 6 | 0 | 63 | 436.025 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.