UCSF

ZINC33834026

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 34 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) 0.54 0.67 -53.81 4 12 -1 192 479.414 8
Mid Mid (pH 6-8) 0.54 1.67 -100.9 3 12 -2 195 478.406 8

Activity (Go SEA)

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