UCSF

ZINC12402819

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 35 No

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Annotations

None

Vendors

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) 4.88 0.69 -13.7 0 8 0 111 496.947 8
Mid Mid (pH 6-8) 5.06 0.91 -13.67 0 8 0 111 496.947 8
Mid Mid (pH 6-8) 5.06 1.91 -14.26 0 8 0 111 496.947 8
Mid Mid (pH 6-8) 4.88 0.8 -15.85 0 8 0 111 496.947 8

Activity (Go SEA)

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