In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2011 | 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) | -1.12 | 5.91 | -66.21 | 1 | 8 | 0 | 91 | 226.24 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.12 | 3.55 | -45.72 | 0 | 8 | -1 | 90 | 225.232 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.