UCSF

ZINC31166012

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 20 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) 2.50 7.38 -10.45 0 4 0 53 268.268 3
Mid Mid (pH 6-8) 3.70 6.74 -56.32 0 4 -1 63 267.26 3
Lo Low (pH 4.5-6) 3.70 5.82 -9.79 1 4 0 60 268.268 3

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

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