In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 39 | 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) | 6.86 | 14.16 | -57.26 | 1 | 8 | -1 | 102 | 525.581 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.49 | 12.27 | -101.15 | 0 | 8 | -2 | 108 | 524.573 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.