In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 1st, 2006 | 26 | 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) | 2.06 | -2.09 | -37.41 | 2 | 7 | 1 | 83 | 359.45 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.06 | -1.19 | -102.12 | 3 | 7 | 2 | 84 | 360.458 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.