In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 28 | 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) | 2.64 | 9.41 | -15.64 | 0 | 6 | 0 | 72 | 398.463 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.64 | 9.8 | -53.38 | 1 | 6 | 1 | 73 | 399.471 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.