UCSF

ZINC13424211

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 31 No

Popular Name: (2E,6S)-2-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]hydrazono]-4-oxo-N-phenyl-1,3-thiazina (2E,6S)-2-[(E)-[3-(1,3-benzodiox…

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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) 3.28 8.35 -17.9 2 8 0 101 438.509 6 ↓
Mid Mid (pH 6-8) 3.28 7.38 -51.66 1 8 -1 103 437.501 7 ↓
Mid Mid (pH 6-8) 3.28 7.46 -25.73 2 8 0 101 438.509 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.