UCSF

ZINC26420697

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 14 Yes

CAS Number: 16353-08-5

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) 1.88 4.58 -16.25 1 3 0 46 186.214 2
Hi High (pH 8-9.5) 2.34 3.48 -44.17 0 3 -1 49 185.206 2

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

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