UCSF

ZINC00400541

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 No

Popular Name: Thionalide Thionalide

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CAS Number: 93-42-5

Other Names:

MFCD00059137

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) 2.62 5.89 -10.44 1 2 0 29 217.293 2 ↓
Hi High (pH 8-9.5) 2.62 6.42 -51.82 1 2 -1 29 216.285 2 ↓

Activity (Go SEA)

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