UCSF

ZINC34273327

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2009 12 Yes

Popular Name: (2S)-2-phenylpentan-1-amine (2S)-2-phenylpentan-1-amine

Find On: PubMed — Wikipedia — Google

CAS Number: N/A

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.62 5.17 -41.84 3 1 1 28 164.272 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0094191A1; EP0281261A2; EP0281261B1; EP0385525A1; EP0765879A1; US4435396; US4847254; US4946863; US5116856; US5861429 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.