UCSF

ZINC39290263

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 1.37 3.9 -7.16 6 5 0 104 247.327 3
Lo Low (pH 4.5-6) 1.37 4.35 -27.29 7 5 1 105 248.335 3

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