UCSF

ZINC69699799

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 22 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) 1.67 2.57 -5.62 1 5 0 43 308.422 8
Mid Mid (pH 6-8) 1.67 4 -40.51 2 5 1 48 309.43 8
Lo Low (pH 4.5-6) 1.67 4.99 -38.32 2 5 1 44 309.43 8
Lo Low (pH 4.5-6) 1.67 6.43 -103.25 3 5 2 49 310.438 8

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

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