UCSF

ZINC69132070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 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) 1.65 3.4 -5.03 2 5 0 65 282.384 6
Mid Mid (pH 6-8) 1.65 5.52 -32.49 3 5 1 66 283.392 6
Mid Mid (pH 6-8) 1.65 4.02 -44.32 3 5 1 66 283.392 6
Lo Low (pH 4.5-6) 1.65 5.94 -118.8 4 5 2 68 284.4 6

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

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