In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 27 | 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) | -2.02 | 1.26 | -48.78 | 6 | 11 | 0 | 176 | 396.429 | 5 | ↓ |
Hi High (pH 8-9.5) | -2.02 | -0.01 | -57.92 | 5 | 11 | -1 | 171 | 395.421 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.