In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2010 | 15 | No |
Popular Name: N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-(2,4-dimethylthiazol-5…
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) | 1.46 | 4.68 | -30.93 | 2 | 3 | 1 | 39 | 242.393 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.46 | 3.81 | -9.59 | 1 | 3 | 0 | 37 | 241.385 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.46 | 4.67 | -31.02 | 2 | 3 | 1 | 39 | 242.393 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.