UCSF

ZINC32199644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 3.13 5.5 -51.19 4 4 1 66 305.785 4
Hi High (pH 8-9.5) 3.13 5.18 -11.94 3 4 0 64 304.777 4

Activity (Go SEA)

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