UCSF

ZINC39694009

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 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) 1.06 8.28 -104.7 4 8 2 83 485.673 5
Mid Mid (pH 6-8) 1.06 5.93 -56.55 3 8 1 82 484.665 5

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