UCSF

ZINC66122904

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 45 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) 1.93 10.3 -29.81 2 11 0 118 622.811 11
Mid Mid (pH 6-8) 1.93 12.63 -57.76 3 11 1 119 623.819 11

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

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