UCSF

ZINC39675662

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 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) 2.75 10.8 -127.63 4 6 2 70 522.587 7
Hi High (pH 8-9.5) 2.75 8.59 -68.69 3 6 1 69 521.579 7

Activity (Go SEA)

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