In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 28 | 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) | 1.10 | 7.42 | -54.97 | 2 | 9 | 1 | 92 | 386.432 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.10 | 6.96 | -25.11 | 1 | 9 | 0 | 91 | 385.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.