In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 33 | 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) | 3.27 | 13.4 | -34.21 | 1 | 7 | 0 | 82 | 457.559 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.27 | 13.84 | -47.47 | 2 | 7 | 1 | 83 | 458.567 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.