UCSF

ZINC00751262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 34 Yes

Popular Name: 1-[2-[[4-[(3R)-4-butyryl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]acetyl]isonipecot-ethyl-e 1-[2-[[4-[(3R)-4-butyryl-3-methy…

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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) 4.08 10.47 -18.28 0 9 0 96 512.076 9 ↓

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Rings

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

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