UCSF

ZINC39115403

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 14 No

CAS Number: 245089-53-6

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) 2.00 3.43 -45.32 2 4 1 45 191.258 2
Hi High (pH 8-9.5) 2.00 2.07 -4.91 1 4 0 40 190.25 2
Hi High (pH 8-9.5) 2.00 2.13 -5.75 1 4 0 40 190.25 2

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

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