In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 15 | 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) | 1.06 | 4.59 | -39.7 | 3 | 2 | 1 | 31 | 203.309 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.06 | 6.79 | -127.54 | 4 | 2 | 2 | 32 | 204.317 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.