| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 23 | No |
Popular Name: 4-amino-2-[(3-nitrobenzyl)thio]pyrimidine-5-carboxylic-acid-ethyl-ester 4-amino-2-[(3-nitrobenzyl)thio]p…
| 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) | 2.81 | -0.54 | -11.22 | 2 | 8 | 0 | 123 | 334.357 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | -0.35 | -44.72 | 3 | 8 | 1 | 125 | 335.365 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
