UCSF

ZINC21631789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 32 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) 4.07 5.34 -44.11 1 10 -1 149 496.93 8
Hi High (pH 8-9.5) 4.07 5.54 -95.5 0 10 -2 152 495.922 8
Mid Mid (pH 6-8) 4.07 5.4 -19.98 2 10 0 147 497.938 8

Activity (Go SEA)

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