UCSF

ZINC32666253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 16 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) 2.58 6.23 -23.02 1 3 1 30 214.292 1
Hi High (pH 8-9.5) 2.58 6.17 -10.03 0 3 0 29 213.284 1

Activity (Go SEA)

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