In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 26 | 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) | 1.90 | 6.41 | -51.07 | 2 | 7 | 1 | 70 | 359.45 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 4.34 | -14.81 | 1 | 7 | 0 | 69 | 358.442 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.