In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 10 | 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) | 2.13 | 3.9 | -39.79 | 3 | 1 | 1 | 28 | 174.676 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 3.6 | -2.79 | 2 | 1 | 0 | 26 | 173.668 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.