UCSF

ZINC09482887

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 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) 0.41 -0.78 -34.73 0 7 -1 92 281.317 5
Mid Mid (pH 6-8) 0.41 -0.82 -13.13 1 7 0 93 282.325 5
Mid Mid (pH 6-8) 0.41 -1.14 -14.69 1 7 0 93 282.325 5
Lo Low (pH 4.5-6) 0.23 -0.07 -11.21 1 7 0 90 282.325 6

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

No pre-computed analogs available. Try a structural similarity search.