UCSF

ZINC39266454

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 36 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) 0.45 4.28 -24.74 3 10 0 118 494.596 5
Mid Mid (pH 6-8) 0.45 6.43 -57.74 4 10 1 119 495.604 5

Activity (Go SEA)

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