UCSF

ZINC39227266

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.45 8.96 -47.91 1 6 1 58 362.446 4
Hi High (pH 8-9.5) 2.45 6.73 -11.73 0 6 0 57 361.438 4

Activity (Go SEA)

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