UCSF

ZINC62321352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 21 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) 0.43 4.98 -36.7 4 8 1 106 291.335 6
Hi High (pH 8-9.5) 0.43 4.33 -15.4 3 8 0 105 290.327 6
Lo Low (pH 4.5-6) 0.43 6.67 -54.58 4 8 1 106 291.335 6

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

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