In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 32 | 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) | 3.80 | 7.06 | -56.75 | 2 | 7 | 1 | 75 | 461.652 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.80 | 4.79 | -20.67 | 1 | 7 | 0 | 74 | 460.644 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.