In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 15 | 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) | 1.30 | 4.76 | -47.28 | 3 | 2 | 1 | 41 | 199.277 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.30 | 5.2 | -87.56 | 4 | 2 | 2 | 42 | 200.285 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.