In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 13 | 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) | 0.10 | 1.63 | -61 | 3 | 5 | 1 | 71 | 196.259 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.10 | 1.25 | -11.08 | 2 | 5 | 0 | 70 | 195.251 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.