UCSF

ZINC48791056

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 16 No

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) 0.15 -0.19 -10.96 2 6 0 79 243.288 2
Hi High (pH 8-9.5) 0.33 -2.84 -40.8 1 6 -1 85 242.28 2

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

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