In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 29 | 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) | 0.61 | -0.57 | -16.05 | 2 | 10 | 0 | 128 | 469.607 | 12 | ↓ |
Hi High (pH 8-9.5) | 0.61 | -3.2 | -46.97 | 1 | 10 | -1 | 126 | 468.599 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.