UCSF

ZINC25785208

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 23 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) 4.01 10.57 -54.24 2 4 1 50 328.461 6
Mid Mid (pH 6-8) 4.47 9.5 -44.56 1 4 0 53 327.453 6

Activity (Go SEA)

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