UCSF

ZINC39886167

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 26 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) 4.38 6.89 -10.62 2 6 0 92 368.414 5
Hi High (pH 8-9.5) 4.84 6.14 -95.85 0 6 -2 98 366.398 5
Mid Mid (pH 6-8) 4.84 5.37 -45.21 1 6 -1 95 367.406 5

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