UCSF

ZINC48951345

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 2.23 7.67 -34.67 2 4 1 46 270.356 3
Mid Mid (pH 6-8) 2.23 7.22 -9.04 1 4 0 45 269.348 3

Activity (Go SEA)

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