In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 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) | 2.87 | 7.27 | -7.58 | 0 | 2 | 0 | 27 | 214.312 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.87 | 9.19 | -49.75 | 1 | 2 | 1 | 28 | 215.32 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.