UCSF

ZINC39546150

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 26 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) 2.75 8.96 -49.07 1 5 1 41 356.442 4
Mid Mid (pH 6-8) 2.75 6.73 -11.52 0 5 0 40 355.434 4

Activity (Go SEA)

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