In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2007 | 15 | 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) | -0.70 | 0.99 | -6.91 | 2 | 5 | 0 | 71 | 205.217 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.70 | 1.27 | -35.8 | 3 | 5 | 1 | 72 | 206.225 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.