UCSF

ZINC31933722

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.81 6.82 -12.7 2 4 0 58 313.426 5
Mid Mid (pH 6-8) 2.81 8.25 -61.55 3 4 1 62 314.434 5

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