UCSF

ZINC95629548

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2014 58 No

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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) 3.70 18.91 -55.85 2 15 1 173 813.026 11
Hi High (pH 8-9.5) 3.70 16.57 -25.07 1 15 0 172 812.018 11
Mid Mid (pH 6-8) 3.70 19.37 -91.67 3 15 2 174 814.034 11

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

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