In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 19 | Yes |
Popular Name: (S)-2-Amino-N-(3-chloro-benzyl)-N-isopropyl-3-methyl-butyramide (S)-2-Amino-N-(3-chloro-benzyl)-…
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CAS Number: 1307172-00-4
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) | 2.37 | 6.54 | -41.21 | 3 | 3 | 1 | 48 | 283.823 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 6.22 | -6.16 | 2 | 3 | 0 | 46 | 282.815 | 5 | ↓ |