In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 29 | 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) | 6.43 | 16.09 | -8.46 | 1 | 4 | 0 | 43 | 491.524 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.43 | 16.46 | -29.75 | 2 | 4 | 1 | 44 | 492.532 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.