In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 24 | 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) | 1.04 | 7.14 | -38.22 | 1 | 7 | 1 | 76 | 345.452 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 6.76 | -9.34 | 0 | 7 | 0 | 75 | 344.444 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.