UCSF

ZINC21983344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 23 Yes

CAS Number: 80424-18-6

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) 4.48 10.6 -141.48 4 2 2 33 302.421 3
Mid Mid (pH 6-8) 4.48 9.29 -40.69 3 2 1 29 301.413 3

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

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