In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 26 | 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) | 4.04 | 8.08 | -47.24 | 2 | 4 | 1 | 46 | 358.481 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.04 | 10.46 | -112.31 | 3 | 4 | 2 | 47 | 359.489 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.