In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 28 | 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) | 2.42 | 6.35 | -9.22 | 1 | 6 | 0 | 72 | 387.524 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 6.81 | -46.22 | 2 | 6 | 1 | 73 | 388.532 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.