UCSF

ZINC34686454

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 22 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) 1.33 5.73 -50.09 2 5 1 55 307.414 6
Hi High (pH 8-9.5) 1.33 4.22 -10.77 1 5 0 51 306.406 6

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