In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 22 | 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) | 0.47 | 2.72 | -58.55 | 2 | 7 | 1 | 86 | 305.406 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.47 | 1.55 | -14.22 | 1 | 7 | 0 | 82 | 304.398 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.