In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2010 | 17 | 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) | 2.81 | 8.27 | -36.7 | 2 | 2 | 1 | 16 | 251.419 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 6.96 | -2.31 | 1 | 2 | 0 | 15 | 250.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.