UCSF

ZINC69095933

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 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) 0.58 2.49 -91.74 5 5 2 67 284.448 7
Hi High (pH 8-9.5) 0.58 4.4 -39.49 4 5 1 63 283.44 7
Lo Low (pH 4.5-6) 0.58 5.3 -104.81 5 5 2 64 284.448 7

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

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