In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | 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) | 4.19 | 8.83 | -52.76 | 3 | 2 | 1 | 41 | 277.391 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 8.5 | -7.3 | 2 | 2 | 0 | 39 | 276.383 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.