In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 10th, 2010 | 27 | 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) | -3.89 | -1.78 | -104.92 | 10 | 12 | 1 | 215 | 382.401 | 7 | ↓ |
Lo Low (pH 4.5-6) | -3.89 | -1.32 | -145.01 | 11 | 12 | 2 | 216 | 383.409 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.