UCSF

ZINC39555177

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 34 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) 2.80 9.03 -17.03 0 8 0 73 475.574 5
Mid Mid (pH 6-8) 2.80 11.22 -59.5 1 8 1 74 476.582 5

Activity (Go SEA)

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