UCSF

ZINC32070936

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 21 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) 1.17 2.92 -109.32 5 5 2 65 315.845 5
Hi High (pH 8-9.5) 1.17 1.25 -71.22 3 5 0 66 313.829 5
Mid Mid (pH 6-8) 1.17 0.45 -53.79 4 5 1 64 314.837 5

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

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