UCSF

ZINC14534676

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 26 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) 2.56 6.52 -15.64 2 8 0 94 360.414 7
Lo Low (pH 4.5-6) 2.56 6.79 -37.91 3 8 1 96 361.422 7

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

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