In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 29 | 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) | 4.38 | 9.4 | -49.27 | 1 | 5 | 0 | 47 | 393.507 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.38 | 9.3 | -8.45 | 0 | 5 | 0 | 46 | 392.499 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.38 | 12.38 | -106.93 | 2 | 5 | 0 | 48 | 394.515 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.