In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 27th, 2011 | 34 | 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) | 3.77 | 14.07 | -48 | 2 | 7 | 1 | 90 | 456.522 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.77 | 13.61 | -18.21 | 1 | 7 | 0 | 88 | 455.514 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.