UCSF

ZINC13487186

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 24 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) 4.06 6.48 -12.58 1 5 0 64 324.428 5
Lo Low (pH 4.5-6) 4.06 6.75 -40.36 2 5 1 65 325.436 5

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

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