UCSF

ZINC34971229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.19 11.74 -15.37 0 5 0 42 462.565 10
Mid Mid (pH 6-8) 4.19 14 -61.46 1 5 1 43 463.573 10

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