UCSF

ZINC71598878

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 15 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) 1.80 2.86 -9.53 2 4 0 66 267.082 1
Hi High (pH 8-9.5) 2.26 1.17 -35.82 1 4 -1 69 266.074 1

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

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