In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 18 | 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) | 1.91 | 7.91 | -91.61 | 3 | 3 | 2 | 24 | 253.434 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 6.35 | -36.39 | 2 | 3 | 1 | 23 | 252.426 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.