In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 28 | 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) | 1.28 | 5.72 | -39.62 | 3 | 7 | 1 | 83 | 388.488 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.28 | 4.72 | -15.17 | 2 | 7 | 0 | 82 | 387.48 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.