In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: 2-[(4-amino-2-methyl-phenyl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-amino-2-methyl-phenyl)sulf…
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) | 2.33 | 5.34 | -13.43 | 3 | 4 | 0 | 72 | 303.412 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 2.85 | -52.23 | 2 | 4 | -1 | 75 | 302.404 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.