In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 21 | 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) | 2.52 | 3.47 | -39.04 | 4 | 4 | 1 | 64 | 288.415 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 5.54 | -109.49 | 5 | 4 | 2 | 65 | 289.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.