In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 14 | 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) | 1.79 | 6.83 | -106.49 | 3 | 2 | 2 | 21 | 196.338 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 5.81 | -33.48 | 2 | 2 | 1 | 16 | 195.33 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.