In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2008 | 27 | 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) | 6.15 | 10.7 | -7.34 | 0 | 4 | 0 | 48 | 401.601 | 6 | ↓ |
Lo Low (pH 4.5-6) | 6.15 | 10.95 | -29.54 | 1 | 4 | 1 | 49 | 402.609 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.