In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 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) | -1.61 | 9.27 | -27.11 | 3 | 4 | 1 | 50 | 262.377 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 8.82 | -6.57 | 2 | 4 | 0 | 51 | 261.369 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.