UCSF

ZINC39750036

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 35 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) 3.75 6.14 -20.12 2 9 0 123 470.485 9
Hi High (pH 8-9.5) 3.81 4.02 -59.66 1 9 -1 130 469.477 9

Activity (Go SEA)

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