UCSF

ZINC01379892

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 27 Yes

Popular Name: Piperazine, 1-[3-(4-fluorophenyl)isothiazolo[4,5-d]pyrimidin-7-yl]-4-(1-oxobutyl)- (9CI) Piperazine, 1-[3-(4-fluorophenyl…

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CAS Number: 604741-36-8

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) 3.48 9.17 -10.76 0 6 0 62 385.468 4 ↓

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

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