UCSF

ZINC35834375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 36 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) 1.79 10.85 -25.04 0 9 0 82 492.624 5
Mid Mid (pH 6-8) 1.79 13.08 -55.78 1 9 1 83 493.632 5

Activity (Go SEA)

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