UCSF

ZINC49497219

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 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) 1.20 1.63 -53.02 2 8 -1 115 291.678 1
Mid Mid (pH 6-8) 1.02 2.82 -30.76 3 8 0 113 292.686 2
Mid Mid (pH 6-8) 0.74 3.58 -10.75 3 8 0 112 292.686 1

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

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