UCSF

ZINC35624655

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 30 No

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) 3.34 8.24 -15.62 3 7 0 100 506.403 6
Hi High (pH 8-9.5) 3.34 9.25 -56.41 2 7 -1 103 505.395 6

Activity (Go SEA)

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