UCSF

ZINC35052139

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 22 No

CAS Number: 856436-16-3

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) 2.99 7.13 -11.52 2 4 0 62 287.322 2
Lo Low (pH 4.5-6) 2.99 7.59 -48.91 3 4 1 63 288.33 2

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

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