UCSF

ZINC26466228

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 12 Yes

CAS Number: 2236-60-4

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) 0.12 -0.48 -45.16 0 5 -1 75 161.144 0
Mid Mid (pH 6-8) -0.34 0.56 -17.45 1 5 0 72 162.152 0

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

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