UCSF

ZINC25445398

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 3.29 6.95 -51.01 1 11 -1 158 490.543 9
Hi High (pH 8-9.5) 3.36 6.06 -97.25 0 11 -2 165 489.535 9
Mid Mid (pH 6-8) 3.29 6.92 -25.44 2 11 0 156 491.551 9

Activity (Go SEA)

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