In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 33 | No |
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) | 4.57 | 5.73 | -16.5 | 4 | 8 | 0 | 120 | 579.662 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.57 | 6.06 | -57.01 | 5 | 8 | 1 | 121 | 580.67 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.