In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 30 | 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) | 2.96 | 6.09 | -59.46 | 1 | 9 | -1 | 125 | 453.88 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 6.18 | -125.57 | 0 | 9 | -2 | 127 | 452.872 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.