UCSF

ZINC49221413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 18 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) 2.37 5.83 -58.48 3 3 1 46 316.194 6
Hi High (pH 8-9.5) 2.37 4.48 -10.87 2 3 0 41 315.186 6

Activity (Go SEA)

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