UCSF

ZINC05235329

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 29 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) 1.42 2.03 -44.55 2 7 1 84 396.467 8
Mid Mid (pH 6-8) 0.84 2.41 -54.07 1 7 1 81 396.467 8

Activity (Go SEA)

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