UCSF

ZINC33880642

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 33 No

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Annotations

Vendors

    None

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) -0.03 5.07 -32.75 5 10 0 158 525.4 10
Mid Mid (pH 6-8) -0.03 3.98 -49.88 4 10 -1 154 524.392 10

Activity (Go SEA)

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