UCSF

ZINC21304282

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 22 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) 2.09 3.44 -62.09 4 5 1 75 299.35 4
Hi High (pH 8-9.5) 2.09 3.24 -9.94 3 5 0 74 298.342 4

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