In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 33 | 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) | 3.00 | 5.56 | -67 | 1 | 9 | -1 | 115 | 451.455 | 7 | ↓ |
Ref Reference (pH 7) | 2.81 | 8.17 | -59.27 | 1 | 9 | -1 | 111 | 451.455 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.00 | 6.63 | -45.9 | 2 | 9 | 0 | 116 | 452.463 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.