UCSF

ZINC20400678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 20 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) 1.18 3.62 -46.62 3 4 1 53 272.372 5
Hi High (pH 8-9.5) 1.18 5.33 -34.17 3 4 1 53 272.372 5
Lo Low (pH 4.5-6) 1.18 6.07 -120.6 4 4 2 54 273.38 5

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