UCSF

ZINC64540341

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 33 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) 3.46 11.9 -12.16 3 10 0 138 446.467 7
Lo Low (pH 4.5-6) 3.46 11.85 -54.27 4 10 1 140 447.475 7

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

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