UCSF

ZINC34945555

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 4.89 14.29 -15.85 0 6 0 53 520.073 10
Mid Mid (pH 6-8) 4.89 16.51 -52.48 1 6 1 54 521.081 10

Activity (Go SEA)

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