UCSF

ZINC50932107

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 23 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) 3.02 10.74 -36.25 1 5 1 67 310.377 4
Mid Mid (pH 6-8) 3.02 10.32 -8.82 0 5 0 66 309.369 4

Activity (Go SEA)

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