UCSF

ZINC55413439

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 26 Yes

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) 1.35 7.18 -46.34 2 8 1 98 372.43 6
Mid Mid (pH 6-8) 1.35 6.72 -16.51 1 8 0 97 371.422 6

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

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