UCSF

ZINC31977686

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.12 4.3 -4.44 2 4 0 48 290.407 3
Mid Mid (pH 6-8) 3.12 6.62 -35.43 3 4 1 49 291.415 3

Activity (Go SEA)

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