UCSF

ZINC35691006

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.09 14.62 -56.94 2 6 1 68 450.632 9
Mid Mid (pH 6-8) 4.09 13.39 -17.74 1 6 0 63 449.624 9

Activity (Go SEA)

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