In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 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) | 0.59 | 0.13 | -16.53 | 5 | 6 | 0 | 115 | 305.359 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.59 | 0.15 | -54.84 | 4 | 6 | -1 | 117 | 304.351 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.