UCSF

ZINC35892984

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 Yes

Popular Name: 4-[2-[4-[[(1S)-1-methylpropyl]BLAHyl]piperazin-1-yl]ethyl]morpholine 4-[2-[4-[[(1S)-1-methylpropyl]BL…

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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) 4.46 11.42 -48.43 1 6 1 46 458.696 6 ↓
Mid Mid (pH 6-8) 4.46 9.2 -7.34 0 6 0 45 457.688 6 ↓
Lo Low (pH 4.5-6) 4.46 11.47 -43.43 1 6 1 46 458.696 6 ↓
Lo Low (pH 4.5-6) 4.46 13.7 -132.53 2 6 2 47 459.704 6 ↓

Activity (Go SEA)

Rings

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