UCSF

ZINC38859008

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 24 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) 2.92 9.1 -42.45 1 4 1 28 395.365 4
Mid Mid (pH 6-8) 2.92 11.32 -97.55 2 4 2 29 396.373 4

Activity (Go SEA)

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