UCSF

ZINC38411594

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 28 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) 3.43 10.83 -127.8 5 5 3 47 382.576 10
Hi High (pH 8-9.5) 3.43 10.45 -88.81 4 5 2 46 381.568 10

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