UCSF

ZINC52542223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.93 9.35 -107.46 3 3 2 30 266.429 9
Hi High (pH 8-9.5) 2.93 8.34 -27.46 2 3 1 26 265.421 9
Mid Mid (pH 6-8) 2.93 6.71 -37.23 2 3 1 29 265.421 9

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Rings

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