UCSF

ZINC05935259

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 19 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) 4.81 5.11 -9.02 1 3 0 45 248.285 2
Hi High (pH 8-9.5) 4.81 5.88 -41.23 0 3 -1 48 247.277 2
Hi High (pH 8-9.5) 4.81 7.14 -44.71 0 3 -1 48 247.277 2

Activity (Go SEA)

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