In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 30 | 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) | 3.69 | 8.16 | -52.14 | 1 | 6 | 0 | 56 | 409.506 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.69 | 8.09 | -10.69 | 0 | 6 | 0 | 55 | 408.498 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 11.03 | -111.84 | 2 | 6 | 0 | 58 | 410.514 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.