In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 45 | 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) | 6.33 | 11.34 | -14.86 | 1 | 9 | 0 | 97 | 609.675 | 10 | ↓ |
Mid Mid (pH 6-8) | 6.33 | 11.97 | -60.38 | 0 | 9 | -1 | 100 | 608.667 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.