In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 26 | 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) | 2.00 | 5.75 | -14.18 | 1 | 7 | 0 | 80 | 369.45 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 6.2 | -34.93 | 2 | 7 | 1 | 81 | 370.458 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.