UCSF

ZINC35017560

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 1.41 5.16 -16.42 2 9 0 117 480.496 7
Mid Mid (pH 6-8) 1.41 5.77 -57.1 1 9 -1 120 479.488 7
Lo Low (pH 4.5-6) 1.41 6.92 -43.81 3 9 1 119 481.504 7

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