UCSF

ZINC39228805

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 37 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) 7.57 13.21 -8.84 1 5 0 47 509.005 5
Mid Mid (pH 6-8) 7.57 15.3 -40.4 2 5 1 48 510.013 5

Activity (Go SEA)

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