UCSF

ZINC42464209

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) -0.22 3.39 -9.05 3 6 0 84 250.302 4
Lo Low (pH 4.5-6) -0.22 3.84 -33.9 4 6 1 85 251.31 4

Activity (Go SEA)

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