UCSF

ZINC38583329

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 16 No

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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) -0.20 -0.05 -40.47 0 5 -1 70 234.26 1
Mid Mid (pH 6-8) -0.20 0.94 -52.55 1 5 0 72 235.268 1
Lo Low (pH 4.5-6) -0.66 2.85 -43.52 2 5 1 69 236.276 1
Lo Low (pH 4.5-6) -0.66 1.86 -8.31 1 5 0 67 235.268 1

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

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