UCSF

ZINC55060958

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.21 7.83 -14.5 1 9 0 96 380.456 5
Mid Mid (pH 6-8) 2.21 7.84 -46.81 2 9 1 97 381.464 5

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

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