UCSF

ZINC43968187

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.90 7.8 -107.61 3 3 2 30 256.434 8
Hi High (pH 8-9.5) 2.90 5.17 -0.61 1 3 0 24 254.418 8
Hi High (pH 8-9.5) 2.90 6.04 -32.65 2 3 1 29 255.426 8
Mid Mid (pH 6-8) 2.90 6.82 -31.31 2 3 1 26 255.426 8

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