UCSF

ZINC30853622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 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) 2.23 3.97 -24.78 3 7 0 110 435.933 5
Mid Mid (pH 6-8) 2.23 4.04 -50.28 2 7 -1 112 434.925 5

Activity (Go SEA)

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