In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 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) | -1.88 | -2.73 | -152.48 | 3 | 12 | -2 | 186 | 390.22 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.42 | -4.62 | -208.56 | 2 | 12 | -3 | 189 | 389.212 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.88 | -3.89 | -60.37 | 4 | 12 | -1 | 183 | 391.228 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.