UCSF

ZINC12413232

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 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) 6.82 14.06 -10.96 0 4 0 38 437.587 6
Ref Reference (pH 7) 6.82 13.77 -12.55 0 4 0 38 437.587 6
Mid Mid (pH 6-8) 6.82 16.36 -44.17 1 4 1 39 438.595 6

Activity (Go SEA)

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