In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 34 | 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) | 2.87 | 10.43 | -109.37 | 0 | 9 | -2 | 129 | 541.028 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 9.55 | -63.56 | 1 | 9 | -1 | 127 | 542.036 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.