In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 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) | 1.90 | 5.44 | -32.86 | 1 | 4 | 1 | 26 | 265.377 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 5.34 | -35.37 | 1 | 4 | 1 | 26 | 265.377 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 3.1 | -5.36 | 0 | 4 | 0 | 25 | 264.369 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.