UCSF

ZINC51480564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.48 7.25 -47.46 2 3 1 33 274.413 3
Hi High (pH 8-9.5) 2.48 6.27 -29.63 2 3 1 29 274.413 3
Hi High (pH 8-9.5) 2.48 5.81 -5.25 1 3 0 28 273.405 3

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