UCSF

ZINC65505430

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 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) 3.61 7 -11.57 4 5 0 80 362.458 1
Lo Low (pH 4.5-6) 3.61 7.51 -37.17 5 5 1 81 363.466 1

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

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