In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 18 | 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) | 3.51 | 6.47 | -6.6 | 2 | 2 | 0 | 39 | 254.358 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.51 | 6.69 | -46.18 | 3 | 2 | 1 | 41 | 255.366 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.