UCSF

ZINC39228587

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 38 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) 5.58 13.88 -35.93 3 7 1 73 507.614 7
Mid Mid (pH 6-8) 5.58 11.79 -12.06 2 7 0 72 506.606 7

Activity (Go SEA)

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