UCSF

ZINC52899745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 17 No

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) 2.44 3.71 -9.86 1 4 0 63 263.347 3
Mid Mid (pH 6-8) 2.97 3.42 -10.32 2 4 0 65 263.347 3

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

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