UCSF

ZINC04390964

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 14 Yes

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) -1.08 -2.41 -8.22 3 7 0 97 197.198 2
Mid Mid (pH 6-8) -1.08 -3.87 -38.89 2 7 -1 95 196.19 2

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

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