UCSF

ZINC01597480

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: 2-Methyl-1-phenyl-2-butanol 2-Methyl-1-phenyl-2-butanol

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CAS Number: 772-46-3

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) 2.80 -0.24 -3.52 1 1 0 20 164.248 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 61 / 0.6 TCI

Activity (Go SEA)

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