In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 18 | Yes |
Popular Name: 2-chloro-4-[5-[(cyclopropylamino)methyl]thiazol-2-yl]phenol 2-chloro-4-[5-[(cyclopropylamino…
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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) | 3.34 | 4.8 | -41.52 | 3 | 3 | 1 | 50 | 281.788 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 4.27 | -38.06 | 1 | 3 | -1 | 48 | 279.772 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 3.5 | -5.63 | 2 | 3 | 0 | 45 | 280.78 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 5.57 | -64.23 | 2 | 3 | 0 | 53 | 280.78 | 4 | ↓ |