UCSF

ZINC19861845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 22 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) 2.08 6.57 -38.8 2 4 1 40 300.426 4
Hi High (pH 8-9.5) 2.08 5.21 -7.1 1 4 0 36 299.418 4
Mid Mid (pH 6-8) 2.08 8.87 -100.86 3 4 2 41 301.434 4

Activity (Go SEA)

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