UCSF

ZINC44737441

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 37 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) 2.70 8.71 -54.84 4 9 1 113 506.675 5
Lo Low (pH 4.5-6) 2.70 9.13 -112.22 5 9 2 114 507.683 5

Activity (Go SEA)

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