UCSF

ZINC23506274

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 21 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) 1.96 2.93 -52.84 4 5 1 83 300.26 5
Mid Mid (pH 6-8) 2.42 1.96 -64.32 3 5 0 86 299.252 5

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