UCSF

ZINC70450908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2011 35 No

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) 4.93 7.39 -53.89 3 5 -1 101 487.701 1
Lo Low (pH 4.5-6) 4.93 5.54 -7.23 4 5 0 98 488.709 1

Activity (Go SEA)

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