In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2010 | 34 | 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) | 6.00 | 13.96 | -47.23 | 1 | 7 | -1 | 96 | 478.642 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.54 | 15.35 | -15.51 | 2 | 7 | 0 | 93 | 479.65 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.