UCSF

ZINC62773725

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 19 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) 3.30 8.37 -5.93 1 3 0 38 255.365 4
Mid Mid (pH 6-8) 3.30 8.65 -27.18 2 3 1 39 256.373 4

Activity (Go SEA)

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