In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 9th, 2014 | 35 | 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) | 2.43 | 14.98 | -34.83 | 4 | 7 | 0 | 110 | 472.589 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.43 | 14.38 | -67.88 | 5 | 7 | 0 | 111 | 473.597 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.43 | 14.82 | -67.17 | 5 | 7 | 0 | 111 | 473.597 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.