UCSF

ZINC34984959

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 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) 3.38 9.35 -38.17 2 7 1 73 471.618 5
Hi High (pH 8-9.5) 3.38 7.61 -7.87 1 7 0 71 470.61 5
Mid Mid (pH 6-8) 3.38 8.84 -38.5 3 7 0 74 472.626 5

Activity (Go SEA)

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