UCSF

ZINC32087360

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 24 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) 2.63 4.72 -53.37 4 4 1 60 327.448 9
Hi High (pH 8-9.5) 2.63 6.32 -37.91 4 4 1 60 327.448 9
Mid Mid (pH 6-8) 2.63 6.77 -127.36 5 4 2 62 328.456 9

Activity (Go SEA)

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