In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2011 | 20 | 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) | 1.81 | 7.22 | -39.53 | 2 | 4 | 1 | 41 | 294.444 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 5.64 | -7.92 | 1 | 4 | 0 | 40 | 293.436 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.81 | 7.56 | -83.75 | 3 | 4 | 2 | 42 | 295.452 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.