UCSF

ZINC04168502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 Yes

Other Names:

MFCD02606723

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) 5.01 12.07 -11.08 0 4 0 56 407.554 3
Mid Mid (pH 6-8) 4.85 0.02 -20.4 0 4 0 55 407.554 3
Mid Mid (pH 6-8) 5.01 -1 -14.94 0 4 0 55 407.554 3

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

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