In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 25 | 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) | 0.98 | 3.33 | -40.83 | 1 | 7 | -1 | 99 | 364.378 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.98 | 1.58 | -15.45 | 2 | 7 | 0 | 97 | 365.386 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.