In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 27 | 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) | -0.90 | -3.69 | -19.51 | 2 | 10 | 0 | 128 | 392.441 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.90 | -1.48 | -63.37 | 3 | 10 | 1 | 129 | 393.449 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.