UCSF

ZINC62967741

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 1.48 6.15 -81.22 3 3 2 24 241.423 7
Hi High (pH 8-9.5) 1.48 3.73 -36.77 2 3 1 23 240.415 7
Lo Low (pH 4.5-6) 1.48 8.61 -186.35 4 3 3 25 242.431 7

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

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