UCSF

ZINC13286748

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 18 No

Other Names:

MFCD03838033

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) 2.57 7.04 -15.85 1 4 0 55 288.13 6
Ref Reference (pH 7) 2.57 6.62 -10.31 1 4 0 55 288.13 6
Mid Mid (pH 6-8) 2.57 7.24 -51.69 2 4 1 60 289.138 6

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

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