UCSF

ZINC49447954

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 17 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) 0.80 5.74 -42.1 1 6 -1 80 230.251 4
Mid Mid (pH 6-8) 0.99 7.1 -11.56 2 6 0 74 231.259 4
Mid Mid (pH 6-8) 0.99 6.93 -48.35 1 6 -1 72 230.251 4

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

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