UCSF

ZINC26538838

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 35 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) 1.62 4.94 -15.93 1 10 0 99 485.537 8
Mid Mid (pH 6-8) 1.62 7.21 -61.7 2 10 1 100 486.545 8

Activity (Go SEA)

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