In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 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) | 0.42 | 5.06 | -46.04 | 3 | 3 | 1 | 62 | 288.392 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.42 | 4.57 | -11.27 | 2 | 3 | 0 | 60 | 287.384 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.