UCSF

ZINC41539934

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 3.18 7.4 -54.16 0 5 -1 70 374.775 4
Lo Low (pH 4.5-6) 3.18 6.64 -15.08 1 5 0 67 375.783 4

Activity (Go SEA)

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