UCSF

ZINC58161997

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 25 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) 2.26 9.66 -43.25 2 5 1 51 341.479 5
Mid Mid (pH 6-8) 2.26 6.65 -9.93 1 5 0 50 340.471 5

Activity (Go SEA)

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