In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 24 | 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) | 2.53 | 2.54 | -10.15 | 3 | 6 | 0 | 108 | 322.272 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.58 | 3.27 | -11.17 | 2 | 6 | 0 | 105 | 322.272 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.