UCSF

ZINC70014878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 19 Yes

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) 2.71 7.97 -35.14 2 3 1 34 265.352 7
Hi High (pH 8-9.5) 2.71 5.9 -8.22 1 3 0 32 264.344 7

Activity (Go SEA)

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