UCSF

ZINC66124521

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 38 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) 2.19 11.84 -21.9 0 12 0 144 535.546 15
Mid Mid (pH 6-8) 2.19 14.23 -55.94 1 12 1 145 536.554 15

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

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