UCSF

ZINC38591390

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 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) 1.07 3.48 -43.87 0 5 -1 70 296.331 2
Lo Low (pH 4.5-6) 1.07 4.47 -51.42 1 5 0 72 297.339 2

Activity (Go SEA)

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