UCSF

ZINC57627434

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.04 3.62 -43.91 3 6 1 72 300.423 9
Mid Mid (pH 6-8) 1.04 1.46 -13.48 2 6 0 71 299.415 9

Activity (Go SEA)

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