UCSF

ZINC42427944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.94 5.46 -39.33 2 3 1 26 302.236 8
Hi High (pH 8-9.5) 1.94 3.13 -4.21 1 3 0 24 301.228 8
Mid Mid (pH 6-8) 1.94 4.55 -38.31 2 3 1 29 302.236 8
Lo Low (pH 4.5-6) 1.94 6.88 -117.5 3 3 2 30 303.244 8

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Rings

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