UCSF

ZINC49335509

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 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) -1.75 1.24 -44.11 1 8 0 118 303.34 6
Hi High (pH 8-9.5) -1.75 -0.43 -57.12 0 8 -1 116 302.332 6

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

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