UCSF

ZINC71613502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 26 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) 2.21 11.01 -27.57 3 5 0 94 349.386 7
Mid Mid (pH 6-8) 2.21 10.78 -48.74 2 5 -1 92 348.378 7

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

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