UCSF

ZINC40442144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 26 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) 0.63 0.52 -50.84 6 7 1 116 411.972 6
Hi High (pH 8-9.5) 0.63 -1.28 -7.12 5 7 0 111 410.964 6

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

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