UCSF

ZINC67471818

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 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) 1.99 4.37 -47.88 1 5 0 66 289.36 4
Mid Mid (pH 6-8) 1.53 4.74 -14.82 1 5 0 62 289.36 4
Mid Mid (pH 6-8) 1.53 7.07 -53.56 2 5 1 63 290.368 4

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

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