UCSF

ZINC42450842

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.03 0.34 -6.15 3 5 0 71 229.324 4
Mid Mid (pH 6-8) 1.03 2.08 -32.31 4 5 1 72 230.332 4

Activity (Go SEA)

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