In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 26 | Yes |
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) | 1.27 | 9.55 | -113.23 | 2 | 6 | 2 | 42 | 368.566 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.27 | 7.22 | -50.33 | 1 | 6 | 1 | 40 | 367.558 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.