In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 15 | 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) | 2.20 | 4.99 | -34.58 | 4 | 2 | 1 | 43 | 205.325 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 5.37 | -125.35 | 5 | 2 | 2 | 44 | 206.333 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.