UCSF

ZINC53420334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.66 5.81 -6.18 0 4 0 33 361.305 7
Mid Mid (pH 6-8) 2.66 8.07 -43.84 1 4 1 34 362.313 7
Mid Mid (pH 6-8) 2.66 8.06 -43.54 1 4 1 34 362.313 7

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

No pre-computed analogs available. Try a structural similarity search.