In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2011 | 23 | 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) | 3.00 | 11.4 | -34.67 | 1 | 5 | 1 | 48 | 330.481 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 9.4 | -10.03 | 0 | 5 | 0 | 46 | 329.473 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.