UCSF

ZINC39917127

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.58 10.27 -47.41 1 6 1 44 409.554 9
Mid Mid (pH 6-8) 3.58 7.91 -11.81 0 6 0 43 408.546 9
Mid Mid (pH 6-8) 3.58 11.04 -90.79 2 6 2 45 410.562 9
Mid Mid (pH 6-8) 3.58 10.15 -44.43 1 6 1 44 409.554 9

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