UCSF

ZINC43772428

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 25 Yes

CAS Number: 69552-46-1

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) 4.14 9.07 -47.41 2 4 -1 81 349.491 10
Lo Low (pH 4.5-6) 4.14 7.1 -8.64 3 4 0 78 350.499 10

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

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