UCSF

ZINC69927631

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 26 Yes

Popular Name: 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2H-benzo[e][1,2,4]thiadiazine 3-[[4-(4-fluorophenyl)piperazin-…

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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) 2.60 5.26 -23.61 1 6 0 65 374.441 3 ↓
Mid Mid (pH 6-8) 2.60 4.86 -39.55 0 6 -1 67 373.433 3 ↓

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

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