In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 20 | 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) | 1.18 | 1.38 | -12.34 | 2 | 7 | 0 | 93 | 269.264 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 1.27 | -38.64 | 1 | 7 | -1 | 91 | 268.256 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.