UCSF

ZINC00802344

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 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) 4.15 8.96 -24.97 2 6 0 76 387.439 6
Lo Low (pH 4.5-6) 4.34 7.24 -34.64 3 6 1 81 388.447 6
Lo Low (pH 4.5-6) 4.15 9.41 -40.72 3 6 1 77 388.447 6

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

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