UCSF

ZINC60119395

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 0.96 11.47 -39.46 3 8 1 128 393.434 3
Mid Mid (pH 6-8) 3.01 11.19 -7.4 2 8 0 127 392.426 3
Mid Mid (pH 6-8) 0.96 10.96 -14.51 2 8 0 130 392.426 3

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

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