UCSF

ZINC30031686

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2009 24 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) 2.77 8.48 -18.3 1 5 0 66 339.42 4
Hi High (pH 8-9.5) 3.23 7.42 -53.93 0 5 -1 69 338.412 4

Activity (Go SEA)

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