In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 9th, 2009 | 22 | Yes |
Popular Name: 2-[[(2-ethylthiazol-4-yl)methyl-methyl-amino]methyl]-3H-quinazolin-4-one 2-[[(2-ethylthiazol-4-yl)methyl-…
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) | 1.75 | 5.59 | -13.09 | 1 | 5 | 0 | 62 | 314.414 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 4.54 | -43.48 | 0 | 5 | -1 | 65 | 313.406 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 7.96 | -50.69 | 2 | 5 | 1 | 63 | 315.422 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 6.91 | -39.67 | 1 | 5 | 0 | 66 | 314.414 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.