In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 30 | No |
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 | 12.6 | -57.69 | 3 | 10 | -1 | 127 | 406.426 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.00 | 11.86 | -24.71 | 4 | 10 | 0 | 125 | 407.434 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.