In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 18 | 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) | 2.88 | 7.1 | -30.53 | 2 | 2 | 1 | 29 | 259.398 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 6.06 | -4.46 | 1 | 2 | 0 | 25 | 258.39 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.