In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 19 | 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) | 3.10 | 7.45 | -33.47 | 2 | 2 | 1 | 29 | 273.425 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 6.41 | -4.14 | 1 | 2 | 0 | 25 | 272.417 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.