UCSF

ZINC48380389

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 20 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) 3.82 4 -8.22 3 4 0 72 331.224 3
Mid Mid (pH 6-8) 3.82 4.13 -42.62 2 4 -1 74 330.216 3

Activity (Go SEA)

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