In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 5th, 2011 | 26 | 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) | 2.69 | 4.76 | -48.72 | 3 | 7 | 0 | 99 | 388.474 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.69 | 4.26 | -54.65 | 2 | 7 | -1 | 98 | 387.466 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.