UCSF

ZINC13282405

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 22 No

Other Names:

MFCD01210554

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) 4.11 8.52 -39.69 0 3 -1 52 310.76 3
Mid Mid (pH 6-8) 3.56 5.86 -12.36 0 3 0 47 311.768 3

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

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