UCSF

ZINC62664969

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 3.10 5.92 -58.98 4 3 1 57 285.342 2
Mid Mid (pH 6-8) 3.10 5.59 -9.74 3 3 0 55 284.334 2

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

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