In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2011 | 20 | Yes |
None
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) | -0.51 | 3.92 | -23.67 | 1 | 5 | 0 | 56 | 271.32 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.51 | 6.28 | -54.13 | 2 | 5 | 1 | 58 | 272.328 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.