UCSF

ZINC30731523

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 21 No

Popular Name: Tuberculostearic acid Tuberculostearic acid

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CAS Number: 542-47-2

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) 7.84 14.9 -43.18 0 2 -1 40 297.503 16 ↓
Lo Low (pH 4.5-6) 7.84 12.93 -4.87 1 2 0 37 298.511 16 ↓
Lo Low (pH 4.5-6) 7.84 12.93 -4.86 1 2 0 37 298.511 16 ↓

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