In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | 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) | 5.38 | 9.5 | -9.25 | 0 | 2 | 0 | 40 | 265.332 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 12.33 | -16.81 | 0 | 2 | 0 | 34 | 266.34 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.