In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | 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) | 0.79 | 1.61 | -51.68 | 3 | 8 | -1 | 131 | 247.19 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.25 | -0.03 | -106.74 | 2 | 8 | -2 | 134 | 246.182 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.