UCSF

ZINC43977495

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) 2.70 7.3 -99.31 3 3 2 30 256.434 7
Hi High (pH 8-9.5) 2.70 4.89 -0.75 1 3 0 24 254.418 7
Hi High (pH 8-9.5) 2.70 6.44 -27.41 2 3 1 26 255.426 7
Mid Mid (pH 6-8) 2.70 5.66 -30.34 2 3 1 29 255.426 7

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