In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2009 | 40 | No |
Popular Name: [4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] [4-chloro-3-[5-methyl-3-[4-(2-py…
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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) | 7.80 | 18.34 | -43.27 | 2 | 8 | 1 | 91 | 561.106 | 10 | ↓ |
Hi High (pH 8-9.5) | 7.80 | 15.78 | -14.19 | 1 | 8 | 0 | 89 | 560.098 | 10 | ↓ |