UCSF

ZINC31900365

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 1.13 3.65 -45.64 4 6 1 72 321.445 7
Hi High (pH 8-9.5) 1.13 1.11 -11.97 3 6 0 71 320.437 7

Activity (Go SEA)

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