In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2010 | 26 | Yes |
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) | 3.08 | 7.32 | -17.62 | 1 | 6 | 0 | 63 | 386.399 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 7.76 | -32.25 | 2 | 6 | 1 | 64 | 387.407 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.