UCSF

ZINC49510022

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 23 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) 1.56 4.82 -19.03 3 6 0 89 308.341 4
Mid Mid (pH 6-8) 1.56 5.26 -37.92 4 6 1 91 309.349 4

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