UCSF

ZINC39287896

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.81 9.85 -53.68 1 4 -1 61 298.362 6
Lo Low (pH 4.5-6) 3.81 7.87 -7.95 2 4 0 59 299.37 6

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