UCSF

ZINC62038729

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 28 No

Popular Name: (2S)-N-(5-formyl-2-hydroxy-phenyl)-2-(oxoBLAHyl)sulfanyl-propanamide (2S)-N-(5-formyl-2-hydroxy-pheny…

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Annotations

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Vendors

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) 3.54 4.88 -19.98 3 7 0 112 415.496 5 ↓
Hi High (pH 8-9.5) 4.00 3.4 -50.37 2 7 -1 115 414.488 5 ↓
Hi High (pH 8-9.5) 3.54 5.65 -49.87 2 7 -1 115 414.488 5 ↓
Hi High (pH 8-9.5) 4.00 4.17 -96.31 1 7 -2 118 413.48 5 ↓

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Rings

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

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