UCSF

ZINC33828262

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 27 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) 4.34 8.06 -37.73 2 3 1 28 403.999 4
Mid Mid (pH 6-8) 4.34 5.8 -5.39 1 3 0 27 402.991 4

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