In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 27 | 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) | 6.32 | 13.03 | -20.09 | 0 | 3 | 0 | 43 | 371.823 | 2 | ↓ |
Mid Mid (pH 6-8) | 6.32 | 13.41 | -38.93 | 1 | 3 | 1 | 44 | 372.831 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.