UCSF

ZINC14984959

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 11 Yes

Popular Name: 6-Methylbenzo[d]thiazol-2(3H)-one 6-Methylbenzo[d]thiazol-2(3H)-one

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CAS Numbers: , 53827-53-5

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) 2.24 3.4 -6.41 1 2 0 33 165.217 0 ↓
Hi High (pH 8-9.5) 2.70 1.42 -43.37 0 2 -1 36 164.209 0 ↓

Activity (Go SEA)

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