UCSF

ZINC84154227

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2013 23 Yes

Other Names:

MFCD03700714

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.75 7.92 -47.26 1 3 -1 60 317.449 1
Lo Low (pH 4.5-6) 3.75 5.92 -4.29 2 3 0 58 318.457 1

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

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