In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 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) | 1.89 | 6.94 | -8.41 | 0 | 6 | 0 | 82 | 384.436 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.89 | 9.07 | -36.23 | 1 | 6 | 1 | 83 | 385.444 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.