UCSF

ZINC05512456

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 12 Yes

Popular Name: ALPHA-HEXYL-GAMMA-BUTYROLACTONE ALPHA-HEXYL-GAMMA-BUTYROLACTONE

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CAS Number: 18436-37-8

Other Names:

MFCD00143581

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) 2.48 2.27 -7.72 0 2 0 26 170.252 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 146 / 16 TCI

Activity (Go SEA)

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