In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 23 | No |
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) | -2.57 | -4.55 | -92.14 | 2 | 12 | -2 | 175 | 344.176 | 1 | ↓ |
Mid Mid (pH 6-8) | -3.03 | -2.52 | -58.81 | 3 | 12 | -1 | 172 | 345.184 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.