UCSF

ZINC66166099

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 33 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) 5.22 13.57 -10.82 1 8 0 71 461.957 5
Mid Mid (pH 6-8) 5.22 15.86 -45.66 2 8 1 73 462.965 5
Lo Low (pH 4.5-6) 5.22 15.49 -83.05 3 8 2 74 463.973 5

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

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