UCSF

ZINC39765799

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 29 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) 4.52 7.9 -23.01 2 7 0 93 471.753 6
Hi High (pH 8-9.5) 4.59 6.22 -59.16 1 7 -1 100 470.745 6

Activity (Go SEA)

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