In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 32 | 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) | 3.49 | 10.12 | -15.26 | 2 | 7 | 0 | 92 | 448.548 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.49 | 10.06 | -49.03 | 3 | 7 | 1 | 94 | 449.556 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.