UCSF

ZINC31361536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 28 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) 5.89 15.31 -36.45 1 3 0 25 377.552 10
Mid Mid (pH 6-8) 5.89 15.34 -37.94 1 3 0 25 377.552 10
Mid Mid (pH 6-8) 5.89 15.24 -8.43 0 3 0 24 376.544 10
Mid Mid (pH 6-8) 5.89 15.45 -82.6 2 3 0 26 378.56 10

Activity (Go SEA)

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