UCSF

ZINC22766183

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) -0.40 1.92 -40.85 3 7 1 75 355.484 8
Mid Mid (pH 6-8) -0.40 1.59 -40.44 3 7 1 75 355.484 8
Mid Mid (pH 6-8) -0.40 -0.55 -8.06 2 7 0 74 354.476 8

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

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