In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2011 | 37 | No |
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) | 3.43 | 9.75 | -55.43 | 1 | 9 | -1 | 125 | 534.574 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.36 | 10.31 | -22.13 | 2 | 9 | 0 | 126 | 535.582 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.