In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 18 | Yes |
Popular Name: (1R)-1-(7-chloro-1,3-benzothiazol-2-yl)-2-(1H-imidazol-4-yl)ethanamine (1R)-1-(7-chloro-1,3-benzothiazo…
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) | 0.25 | 4.15 | -8.97 | 3 | 4 | 0 | 68 | 278.768 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.25 | 4.52 | -47.57 | 4 | 4 | 1 | 69 | 279.776 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.25 | 4.71 | -36.94 | 4 | 4 | 1 | 69 | 279.776 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.25 | 4.97 | -110.88 | 5 | 4 | 2 | 70 | 280.784 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.