In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 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) | -0.26 | 2.64 | -53.13 | 4 | 9 | 1 | 113 | 388.448 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.26 | 1.28 | -14.07 | 3 | 9 | 0 | 108 | 387.44 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.