In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 16 | 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) | 3.96 | 8.35 | -31.07 | 2 | 1 | 1 | 17 | 252.428 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.96 | 7.34 | -2.42 | 1 | 1 | 0 | 12 | 251.42 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.