UCSF

ZINC62966077

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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 2.94 -91.94 5 5 2 64 262.357 2
Hi High (pH 8-9.5) -1.35 0.26 -6.89 3 5 0 62 260.341 2
Mid Mid (pH 6-8) -1.35 2.62 -45.37 4 5 1 63 261.349 2

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

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