UCSF

ZINC43909736

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 3.34 7.51 -112.64 3 3 2 30 272.477 8
Hi High (pH 8-9.5) 3.34 6.52 -0.4 1 3 0 24 270.461 8
Hi High (pH 8-9.5) 3.34 7.43 -32.5 2 3 1 29 271.469 8
Mid Mid (pH 6-8) 3.34 6.65 -31.58 2 3 1 26 271.469 8

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