In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | 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) | 3.94 | 11.17 | -37.09 | 2 | 1 | 1 | 17 | 266.408 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.94 | 10.18 | -3.15 | 1 | 1 | 0 | 12 | 265.4 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.