In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 27 | 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) | 2.34 | 8.48 | -29.33 | 3 | 6 | 1 | 67 | 372.399 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 6.76 | -12.33 | 2 | 6 | 0 | 66 | 371.391 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 9.63 | -111.25 | 4 | 6 | 2 | 72 | 373.407 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.