UCSF

ZINC30726969

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 15 Yes

Popular Name: Isocaryophyllene Isocaryophyllene

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CAS Number: 118-65-0

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) 5.17 9.6 -0.39 0 0 0 0 204.357 0 ↓

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