UCSF

ZINC36097495

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 1.08 1.77 -7.8 1 6 0 58 338.448 11
Mid Mid (pH 6-8) 1.08 3.91 -40.57 2 6 1 60 339.456 11
Lo Low (pH 4.5-6) 1.08 4.04 -41.26 2 6 1 60 339.456 11

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

No pre-computed analogs available. Try a structural similarity search.