In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 46 | 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) | 2.00 | 9.32 | -59.08 | 6 | 13 | 1 | 172 | 641.79 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 8.18 | -24.48 | 5 | 13 | 0 | 171 | 640.782 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.