UCSF

ZINC38581012

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 No

CAS Number: [337536-53-5]

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) -1.74 -2.29 -23.68 6 13 0 205 328.241 3
Hi High (pH 8-9.5) -1.28 -4.37 -54.6 5 13 -1 208 327.233 3

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

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