In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2010 | 20 | 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) | 2.30 | 9.96 | -70.89 | 0 | 5 | -1 | 71 | 270.264 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.98 | 8.04 | -37.27 | 1 | 5 | 0 | 73 | 271.272 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.