In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2008 | 16 | 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) | 0.99 | 4.64 | -6.22 | 0 | 5 | 0 | 61 | 220.228 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.99 | 4.93 | -37.37 | 1 | 5 | 1 | 62 | 221.236 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.