UCSF

ZINC58330407

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 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) 3.07 8.66 -41.19 2 4 1 45 329.395 3
Hi High (pH 8-9.5) 3.07 7.63 -57.54 0 4 -1 47 327.379 3
Mid Mid (pH 6-8) 3.07 6.8 -11.97 1 4 0 44 328.387 3

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

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