In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 25 | 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) | 0.44 | 2.61 | -13.13 | 1 | 7 | 0 | 72 | 341.415 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 4.77 | -57.4 | 2 | 7 | 1 | 73 | 342.423 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.44 | 5.18 | -94.57 | 3 | 7 | 2 | 75 | 343.431 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.