In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 13 | No |
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) | 1.18 | 7.02 | -36.34 | 1 | 2 | 1 | 22 | 200.327 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 5.06 | -6.19 | 0 | 2 | 0 | 20 | 199.319 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.