In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 15 | 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) | 1.15 | 3.67 | -6.69 | 0 | 3 | 0 | 30 | 211.305 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.15 | 5.76 | -38.87 | 1 | 3 | 1 | 31 | 212.313 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.