UCSF

ZINC36331212

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 43 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) 2.93 8.82 -25.07 1 12 0 169 619.689 8
Lo Low (pH 4.5-6) 2.93 9.29 -61.37 2 12 1 170 620.697 8

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

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