In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 21 | Yes |
Popular Name: (7S)-5,5-dimethyl-2-[methyl(4-pyridylmethyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-5,5-dimethyl-2-[methyl(4-py…
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) | 2.34 | 5.62 | -9.51 | 1 | 4 | 0 | 49 | 303.431 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 6.02 | -30.67 | 2 | 4 | 1 | 50 | 304.439 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.34 | 6.48 | -83.95 | 3 | 4 | 2 | 52 | 305.447 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.