| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2010 | 13 | Yes |
Popular Name: 4-((1S)-1-AMINOBUTYL)BENZENECARBONITRILE-HCl 4-((1S)-1-AMINOBUTYL)BENZENECARB…
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CAS Number: 1212849-38-1
| 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) | 0.62 | 5.23 | -53.83 | 3 | 2 | 1 | 51 | 175.255 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 4.88 | -4.91 | 2 | 2 | 0 | 50 | 174.247 | 3 | ↓ |
