UCSF

ZINC41233010

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.20 8.78 -38.5 1 2 1 22 220.336 4
Mid Mid (pH 6-8) 3.20 6.39 -6.38 0 2 0 20 219.328 4

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Rings

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