In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 32 | No |
None
None
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) | 4.33 | 9.51 | -47.48 | 1 | 6 | 0 | 56 | 437.56 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.33 | 9.39 | -10.12 | 0 | 6 | 0 | 55 | 436.552 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.33 | 12.36 | -108.21 | 2 | 6 | 0 | 58 | 438.568 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.