| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2011 | 23 | No |
Popular Name: 4-[[amino-[(1S,3R)-3-amino-1-hydroxy-4-phenyl-butyl]amino]methyl]benzonitrile 4-[[amino-[(1S,3R)-3-amino-1-hyd…
| 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) | 1.16 | 2.96 | -49.36 | 6 | 5 | 1 | 101 | 311.409 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 2.78 | -140.22 | 7 | 5 | 2 | 103 | 312.417 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
