UCSF

ZINC65495989

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.38 7.77 -49.19 3 6 1 74 325.44 7
Hi High (pH 8-9.5) 1.38 7.39 -10.47 2 6 0 73 324.432 7
Lo Low (pH 4.5-6) 1.38 8.35 -98.15 4 6 2 76 326.448 7
Lo Low (pH 4.5-6) 1.38 8.32 -104.69 4 6 2 76 326.448 7

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

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