In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 5th, 2011 | 29 | 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) | 3.16 | 4.64 | -48.97 | 2 | 6 | 0 | 77 | 422.432 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.16 | 4.06 | -42.27 | 3 | 6 | 1 | 75 | 423.44 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.