UCSF

ZINC59528790

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 17 No

CAS Number: 6736-77-2

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) -3.88 -8.33 -147.24 5 10 -2 191 274.118 7
Lo Low (pH 4.5-6) -3.88 -9.47 -56.89 6 10 -1 188 275.126 7

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

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