UCSF

ZINC19994654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 27 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) 0.22 3.59 -10.43 2 8 0 96 372.425 7
Ref Reference (pH 7) 0.22 3.59 -10.34 2 8 0 96 372.425 7
Mid Mid (pH 6-8) 0.22 5.86 -53.67 3 8 1 98 373.433 7
Mid Mid (pH 6-8) 0.22 5.86 -52.75 3 8 1 98 373.433 7

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

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