UCSF

ZINC34948503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 5.18 13.06 -12.59 0 5 0 42 464.65 12
Mid Mid (pH 6-8) 5.18 15.32 -45.26 1 5 1 43 465.658 12

Activity (Go SEA)

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