In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 36 | 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) | 5.16 | 12.34 | -59.09 | 0 | 7 | -1 | 76 | 489.592 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.16 | 14.6 | -84.58 | 1 | 7 | 0 | 77 | 490.6 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.