UCSF

ZINC65527578

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 21 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) -1.02 4.5 -53.37 1 8 1 72 294.383 4
Mid Mid (pH 6-8) -1.02 4.32 -59.53 1 8 1 72 294.383 4
Mid Mid (pH 6-8) -1.02 2.07 -22.87 0 8 0 70 293.375 4

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

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