In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 12 | 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) | -0.20 | 0.85 | -9.39 | 0 | 4 | 0 | 47 | 167.164 | 1 | ↓ |
Lo Low (pH 4.5-6) | -0.20 | -0.27 | -45.21 | 1 | 4 | 1 | 50 | 168.172 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.