In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 33 | 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) | 3.20 | 8.02 | -19.79 | 0 | 6 | 0 | 59 | 464.566 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 10.28 | -49.07 | 1 | 6 | 1 | 60 | 465.574 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.