UCSF

ZINC69740013

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) 0.32 9.66 -70.93 1 6 1 83 301.418 6
Mid Mid (pH 6-8) 0.32 7.69 -23.24 0 6 0 82 300.41 6
Lo Low (pH 4.5-6) 0.32 10.09 -114.69 2 6 2 84 302.426 6

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

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