UCSF

ZINC27646816

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 21 No

CAS Number: 133550-35-3

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) 1.24 1.05 -64.96 6 5 1 97 285.323 4
Hi High (pH 8-9.5) 1.24 1.98 -84.06 5 5 0 100 284.315 4
Hi High (pH 8-9.5) 1.24 0.49 -14.44 5 5 0 96 284.315 4

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

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