In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2010 | 17 | 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) | 3.63 | 9.39 | -103.88 | 3 | 2 | 2 | 21 | 240.435 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.63 | 7.16 | -36.59 | 2 | 2 | 1 | 20 | 239.427 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.