In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 19 | 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) | 2.45 | 7.34 | -9.64 | 0 | 4 | 0 | 40 | 253.305 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 7.69 | -24.36 | 1 | 4 | 1 | 41 | 254.313 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.