UCSF

ZINC43457327

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 2.41 4.96 -37.62 2 3 1 29 237.367 8
Hi High (pH 8-9.5) 2.41 3.52 -3.14 1 3 0 24 236.359 8
Hi High (pH 8-9.5) 2.41 5.75 -29.76 2 3 1 26 237.367 8
Lo Low (pH 4.5-6) 2.41 7.2 -105.75 3 3 2 30 238.375 8

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