In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 18 | 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) | 0.04 | 2.56 | -77.13 | 3 | 6 | 0 | 102 | 264.31 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.04 | 2.52 | -60.36 | 4 | 6 | 1 | 100 | 265.318 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.