UCSF

ZINC59211694

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 14 No

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Annotations

Vendors

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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) 0.75 3.66 -51.87 1 4 -1 70 197.21 1
Lo Low (pH 4.5-6) 0.75 1.65 -6.52 2 4 0 67 198.218 1

Activity (Go SEA)

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