In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 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) | 1.43 | 4.12 | -26.35 | 3 | 8 | 0 | 109 | 395.391 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 2.79 | -56.47 | 2 | 8 | -1 | 115 | 394.383 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.