| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 16 | Yes |
Popular Name: 1-Pyrrolidineethanamine, N-[(3-methylphenyl)methyl]- (9CI) 1-Pyrrolidineethanamine, N-[(3-m…
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CAS Number: 827326-53-4
| 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) | 2.35 | 8.39 | -115.6 | 3 | 2 | 2 | 21 | 220.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 6.88 | -33.82 | 2 | 2 | 1 | 16 | 219.352 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
