In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 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) | 1.75 | 6.24 | -54.01 | 1 | 5 | -1 | 82 | 273.243 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 6.4 | -70.52 | 2 | 5 | 0 | 83 | 274.251 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.