In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2013 | 17 | 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) | -2.30 | -10.32 | -15.78 | 4 | 9 | 0 | 138 | 245.191 | 2 | ↓ |
Mid Mid (pH 6-8) | -1.84 | -13 | -52.64 | 3 | 9 | -1 | 141 | 244.183 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.