UCSF

ZINC20503009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 29 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) 2.72 5.98 -28.04 2 7 0 96 435.933 5
Mid Mid (pH 6-8) 2.72 6.05 -55.39 1 7 -1 98 434.925 5

Activity (Go SEA)

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