UCSF

ZINC71589419

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) 0.48 6.23 -48.87 1 8 1 72 362.454 5
Mid Mid (pH 6-8) 0.48 8.06 -56.83 1 8 1 72 362.454 5
Mid Mid (pH 6-8) 0.48 8.5 -96.38 2 8 2 73 363.462 5
Mid Mid (pH 6-8) 0.48 5.79 -19.08 0 8 0 71 361.446 5

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

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