UCSF

ZINC38147408

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 14 Yes

CAS Numbers: 17664-98-1 , 7298-84-2

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) -1.95 1.5 -59.24 4 5 0 97 202.254 5
Mid Mid (pH 6-8) -1.95 1.2 -42.23 3 5 -1 95 201.246 5

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

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