In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 23 | 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) | -0.58 | 8.36 | -91.53 | 2 | 7 | 0 | 103 | 352.441 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.58 | 7.9 | -72.42 | 1 | 7 | -1 | 102 | 351.433 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.