UCSF

ZINC68535532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2011 24 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) 2.09 11.31 -89.52 3 4 2 38 327.472 7
Hi High (pH 8-9.5) 2.09 8.15 -38.04 2 4 1 37 326.464 7
Hi High (pH 8-9.5) 2.09 6.66 -6.83 1 4 0 36 325.456 7

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