UCSF

ZINC00751321

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 32 Yes

Popular Name: 2-[[4-[(3S)-4-butyryl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)acetam 2-[[4-[(3S)-4-butyryl-3-methyl-p…

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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) 2.70 5.83 -17.19 1 9 0 91 485.054 9 ↓
Mid Mid (pH 6-8) 2.70 8.1 -52.45 2 9 1 92 486.062 9 ↓

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Rings

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

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