UCSF

ZINC32210472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.55 7.26 -88.87 3 5 2 49 310.438 9
Hi High (pH 8-9.5) 1.55 4.67 -46.12 2 5 1 48 309.43 9

Activity (Go SEA)

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