UCSF

ZINC42914491

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 3.80 8.48 -117.59 4 2 2 32 282.447 8
Hi High (pH 8-9.5) 3.80 8.17 -34.24 3 2 1 30 281.439 8
Hi High (pH 8-9.5) 3.80 6.72 -45.24 3 2 1 31 281.439 8

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