In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 34 | 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) | 5.15 | 13.13 | -47.06 | 2 | 7 | 1 | 83 | 476.578 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.15 | 12.59 | -23.92 | 1 | 7 | 0 | 82 | 475.57 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.