UCSF

ZINC54794747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 20 Yes

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) 2.91 7.23 -40.08 3 4 1 55 287.774 3
Mid Mid (pH 6-8) 2.91 6.74 -9.96 2 4 0 54 286.766 3
Lo Low (pH 4.5-6) 2.91 7.59 -80.11 4 4 2 56 288.782 3

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

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