In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 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) | 3.88 | 7.51 | -37.79 | 2 | 4 | 1 | 52 | 282.404 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.88 | 6.35 | -6.16 | 1 | 4 | 0 | 48 | 281.396 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.