UCSF

ZINC01598497

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 9 Yes

Popular Name: 3-Methyl-2-heptanol 3-Methyl-2-heptanol

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CAS Number: 31367-46-1

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) 2.73 -0.32 -1.68 1 1 0 20 130.231 4 ↓

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