UCSF

ZINC54434006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 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) 1.14 4.78 -36.34 3 6 1 73 293.391 6
Mid Mid (pH 6-8) 1.14 4.32 -10.61 2 6 0 72 292.383 6

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

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