In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 32 | 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) | 1.52 | 1.96 | -58.44 | 2 | 8 | -1 | 136 | 464.56 | 12 | ↓ |
Lo Low (pH 4.5-6) | 1.34 | 3.11 | -27.17 | 3 | 8 | 0 | 130 | 465.568 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.