In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 15 | 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) | 0.97 | 3.95 | -18.57 | 0 | 5 | 0 | 63 | 225.273 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 4.27 | -50.93 | 1 | 5 | 1 | 64 | 226.281 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.