UCSF

ZINC42945835

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.59 4.82 -115.48 5 3 2 52 286.847 8
Hi High (pH 8-9.5) 2.59 2.99 -42.42 4 3 1 51 285.839 8
Mid Mid (pH 6-8) 2.59 4.5 -32.27 4 3 1 51 285.839 8

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