UCSF

ZINC32205622

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) 1.56 4.96 -36.32 2 5 1 48 307.414 8
Mid Mid (pH 6-8) 1.56 7.34 -104.66 3 5 2 49 308.422 8

Activity (Go SEA)

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