UCSF

ZINC42915705

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.28 4.92 -116.62 6 4 2 75 293.455 9
Hi High (pH 8-9.5) 2.28 4.64 -33.84 5 4 1 74 292.447 9
Hi High (pH 8-9.5) 2.28 3.15 -45.62 5 4 1 74 292.447 9

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