UCSF

ZINC39227468

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 37 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) 5.57 15.19 -51.96 2 5 1 60 495.643 4
Hi High (pH 8-9.5) 5.57 13 -15.72 1 5 0 59 494.635 4

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