In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 37 | 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) | 7.51 | 15.78 | -18.77 | 2 | 5 | 0 | 62 | 490.582 | 5 | ↓ |
Mid Mid (pH 6-8) | 7.51 | 16.38 | -38.2 | 3 | 5 | 1 | 63 | 491.59 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.