UCSF

ZINC39881624

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 5.41 12.28 -33.04 2 6 1 65 440.523 5
Mid Mid (pH 6-8) 5.41 12.14 -17.66 1 6 0 64 439.515 5

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