UCSF

ZINC37716191

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 19 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) -1.42 -2.38 -14.29 2 7 0 91 284.341 4
Hi High (pH 8-9.5) -1.42 -2.77 -47.43 1 7 -1 93 283.333 4
Mid Mid (pH 6-8) -1.42 -1.08 -56.62 3 7 1 96 285.349 4

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

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