In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 23 | No |
None
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) | 1.28 | 2.48 | -53.98 | 1 | 8 | -1 | 111 | 354.437 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.46 | 4.05 | -21.04 | 2 | 8 | 0 | 104 | 355.445 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.