UCSF

ZINC65594056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 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) 0.81 5.3 -31.07 3 5 1 60 260.365 5
Hi High (pH 8-9.5) 0.81 4.88 -10.75 2 5 0 59 259.357 5
Hi High (pH 8-9.5) 0.81 4.91 -11.03 2 5 0 59 259.357 5
Mid Mid (pH 6-8) 0.81 5.33 -31.11 3 5 1 60 260.365 5
Lo Low (pH 4.5-6) 0.81 6.66 -100.62 4 5 2 64 261.373 5
Lo Low (pH 4.5-6) 0.81 6.7 -100.06 4 5 2 64 261.373 5

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

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