UCSF

ZINC59416232

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 32 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) 4.38 9.44 -47.85 3 7 1 88 468.525 10
Hi High (pH 8-9.5) 4.38 7.33 -13.68 2 7 0 87 467.517 10

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

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