UCSF

ZINC26432638

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 21 No

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) 2.04 6.57 -23.42 0 4 0 56 301.367 5
Mid Mid (pH 6-8) 2.74 6.07 -51.48 0 4 -1 62 300.359 4

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

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