In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 19 | 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) | 0.11 | 1.42 | -101.62 | 0 | 7 | -2 | 114 | 277.261 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.11 | 1.88 | -52.06 | 1 | 7 | -1 | 115 | 278.269 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.11 | 2.33 | -62.43 | 2 | 7 | 0 | 117 | 279.277 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.