UCSF

ZINC38638205

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 22 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) 3.82 6.96 -42.1 2 4 1 51 327.514 9
Hi High (pH 8-9.5) 3.82 4.84 -7.5 1 4 0 49 326.506 9

Activity (Go SEA)

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