UCSF

ZINC71538253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 23 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) 0.70 3 -63.8 2 9 -1 136 313.297 5
Hi High (pH 8-9.5) 0.70 3.02 -142.85 1 9 -2 134 312.289 5
Mid Mid (pH 6-8) 0.52 5.46 -55.86 2 9 -1 128 313.297 5
Lo Low (pH 4.5-6) 0.52 5.45 -22.85 3 9 0 130 314.305 5

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

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