In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 17 | 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) | -0.16 | -0.59 | -8.14 | 0 | 6 | 0 | 53 | 263.363 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.16 | 1.65 | -47.86 | 1 | 6 | 1 | 54 | 264.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.