In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 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) | 2.04 | 6.76 | -13.04 | 1 | 6 | 0 | 60 | 290.396 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 7.28 | -30.64 | 2 | 6 | 1 | 61 | 291.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.