In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 16th, 2011 | 26 | No |
None
None
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) | 1.26 | 6.61 | -24.65 | 1 | 7 | 0 | 61 | 378.498 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.26 | 8.77 | -55.81 | 2 | 7 | 1 | 62 | 379.506 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.