UCSF

ZINC56960281

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 14 Yes

CAS Number: 14216-22-9

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) -2.65 -7.94 -42.69 7 6 1 118 210.25 7
Hi High (pH 8-9.5) -2.65 -9.32 -8.4 6 6 0 113 209.242 7

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

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