UCSF

ZINC33818143

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 5.31 11.21 -51.2 2 8 1 88 505.565 11
Lo Low (pH 4.5-6) 5.13 12.33 -82.17 3 8 2 86 506.573 12

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

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