In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2011 | 28 | No |
None
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) | 1.76 | 6.42 | -14.52 | 1 | 8 | 0 | 79 | 380.452 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 6.85 | -33.01 | 2 | 8 | 1 | 81 | 381.46 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.