In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2011 | 15 | 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) | 2.09 | 8.76 | -36.76 | 1 | 4 | 1 | 33 | 272.17 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 6.76 | -4.01 | 0 | 4 | 0 | 32 | 271.162 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.