In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 30 | 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) | 2.41 | 10.65 | -65.28 | 1 | 9 | -1 | 130 | 424.462 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 8.17 | -131.13 | 0 | 9 | -2 | 133 | 423.454 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.