In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2010 | 14 | No |
Popular Name: (4R)-4-ethyl-N-(thiazol-2-ylmethyl)-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-(thiazol-2-ylmeth…
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) | 1.32 | 4.13 | -27.68 | 2 | 3 | 1 | 39 | 228.366 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 3.09 | -8.62 | 1 | 3 | 0 | 37 | 227.358 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 4.1 | -27.45 | 2 | 3 | 1 | 39 | 228.366 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.