UCSF

ZINC00746851

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 3.80 10.74 -18.63 2 6 0 74 450.542 6
Lo Low (pH 4.5-6) 3.80 11.18 -57.74 3 6 1 76 451.55 6

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

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