UCSF

ZINC00748072

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 39 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) 3.60 6.64 -20.68 2 9 0 86 535.689 9
Mid Mid (pH 6-8) 3.60 8.98 -60.23 3 9 1 88 536.697 9

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

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