In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 22 | 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) | 0.22 | 2.86 | -34.42 | 2 | 7 | 1 | 66 | 313.422 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.22 | 0.68 | -8.83 | 1 | 7 | 0 | 65 | 312.414 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.22 | 2.94 | -34.77 | 2 | 7 | 1 | 66 | 313.422 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.