In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 19 | 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) | 4.55 | 8.41 | -40.17 | 3 | 1 | 1 | 28 | 252.381 | 1 | ↓ |
Hi High (pH 8-9.5) | 4.55 | 8.2 | -2.9 | 2 | 1 | 0 | 26 | 251.373 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.