UCSF

ZINC39706613

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 31 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) 2.63 8.84 -15.32 2 7 0 91 416.481 4
Lo Low (pH 4.5-6) 2.63 9.23 -35.61 3 7 1 93 417.489 4

Activity (Go SEA)

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